-ISIS- 04220312222D 24 26 0 0 0 0 0 0 0 0999 V2000 -3.4931 2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4943 1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9961 1.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4963 1.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4992 2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9979 2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0042 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 3.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9958 1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4958 1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4691 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9057 1.5924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6223 2.0882 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0017 2.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 3.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2378 1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8096 1.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 2.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8012 2.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 2.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 13 14 1 0 0 0 0 5 7 1 0 0 0 0 2 3 1 0 0 0 0 7 8 2 0 0 0 0 4 5 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 13 2 0 0 0 0 2 9 1 0 0 0 0 17 18 1 0 0 0 0 1 2 2 0 0 0 0 16 19 1 0 0 0 0 9 10 1 0 0 0 0 19 20 2 0 0 0 0 5 6 2 0 0 0 0 20 21 1 0 0 0 0 10 11 1 0 0 0 0 21 22 2 0 0 0 0 6 1 1 0 0 0 0 22 23 1 0 0 0 0 11 12 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 7 13 1 0 0 0 0 M END > Example1 $$$$ -ISIS- 04220312222D 30 33 0 0 0 0 0 0 0 0999 V2000 -3.9806 -8.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9818 -8.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -9.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9838 -8.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9867 -8.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4854 -8.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4917 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -7.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -8.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9399 -8.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3765 -9.1035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0931 -8.6076 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4725 -8.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 -7.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -8.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3388 -9.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 -8.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3303 -8.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2405 -8.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1958 -8.5958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4917 -9.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 -10.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 -10.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 -10.9958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -4.9911 -10.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4896 -10.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4972 -11.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0019 -11.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4991 -11.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 15 1 0 0 0 0 7 8 2 0 0 0 0 15 16 2 0 0 0 0 4 5 1 0 0 0 0 16 17 1 0 0 0 0 7 9 1 0 0 0 0 17 18 2 0 0 0 0 9 10 1 0 0 0 0 18 19 1 0 0 0 0 1 2 2 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 5 6 2 0 0 0 0 18 21 1 0 0 0 0 6 1 1 0 0 0 0 3 22 1 0 0 0 0 3 4 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 12 13 1 0 0 0 0 13 9 2 0 0 0 0 5 7 1 0 0 0 0 13 14 1 0 0 0 0 2 3 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > Example14 $$$$ -ISIS- 04220312222D 30 33 0 0 0 0 0 0 0 0999 V2000 7.8417 2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8976 1.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4610 1.7632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7444 2.2591 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.3650 2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5083 3.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6045 1.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1763 1.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4600 2.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1678 2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5970 2.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0333 2.2708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 1.8375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3632 1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8654 1.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 2.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3557 2.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8556 2.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8599 1.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3581 1.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8578 1.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3563 2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 3.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3583 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 8 2 0 0 0 0 4 5 1 0 0 0 0 8 9 1 0 0 0 0 5 1 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 9 10 2 0 0 0 0 1 2 1 0 0 0 0 20 21 2 0 0 0 0 10 11 1 0 0 0 0 21 22 1 0 0 0 0 5 6 1 0 0 0 0 22 23 2 0 0 0 0 11 12 2 0 0 0 0 23 24 1 0 0 0 0 12 7 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 2 3 2 0 0 0 0 24 26 1 0 0 0 0 10 13 1 0 0 0 0 26 27 2 0 0 0 0 4 7 1 0 0 0 0 21 28 1 0 0 0 0 14 15 1 0 0 0 0 28 29 2 0 0 0 0 3 4 1 0 0 0 0 29 30 1 0 0 0 0 30 14 1 0 0 0 0 1 26 1 0 0 0 0 M END > Example2 $$$$ -ISIS- 04220312222D 31 34 0 0 0 0 0 0 0 0999 V2000 10.7569 -8.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7557 -8.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2539 -9.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7537 -8.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7508 -8.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2521 -7.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2458 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2417 -7.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7417 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7976 -8.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3610 -8.9285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6444 -8.4326 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.2650 -8.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4083 -7.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2167 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5045 -8.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0763 -8.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3600 -8.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0678 -7.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4970 -7.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9333 -8.4208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.2537 -9.6819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7500 -9.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7458 -10.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2458 -10.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2417 -11.3958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7404 -11.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7348 -12.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2294 -12.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7307 -12.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 -11.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 8 2 0 0 0 0 15 16 2 0 0 0 0 4 5 1 0 0 0 0 16 17 1 0 0 0 0 7 9 1 0 0 0 0 17 18 2 0 0 0 0 9 10 1 0 0 0 0 18 19 1 0 0 0 0 1 2 2 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 5 6 2 0 0 0 0 18 21 1 0 0 0 0 6 1 1 0 0 0 0 3 22 1 0 0 0 0 3 4 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 12 13 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 13 9 2 0 0 0 0 5 7 1 0 0 0 0 13 14 1 0 0 0 0 2 3 1 0 0 0 0 12 15 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > Example21 $$$$ -ISIS- 04220312222D 27 29 0 0 0 0 0 0 0 0999 V2000 -4.4181 -15.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4193 -15.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9211 -16.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4213 -15.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4242 -15.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 -14.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9292 -14.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 -14.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -15.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3774 -15.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -15.8535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5306 -15.3576 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.9100 -14.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 -14.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -15.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 -15.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0987 -15.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -15.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1072 -14.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -14.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -15.3458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9213 -16.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4292 -17.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9292 -17.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9333 -18.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4333 -18.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5 7 1 0 0 0 0 13 14 1 0 0 0 0 2 3 1 0 0 0 0 12 15 1 0 0 0 0 7 8 2 0 0 0 0 15 16 2 0 0 0 0 4 5 1 0 0 0 0 16 17 1 0 0 0 0 7 9 1 0 0 0 0 17 18 2 0 0 0 0 9 10 1 0 0 0 0 18 19 1 0 0 0 0 1 2 2 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 5 6 2 0 0 0 0 18 21 1 0 0 0 0 6 1 1 0 0 0 0 3 22 1 0 0 0 0 3 4 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 12 13 1 0 0 0 0 25 26 1 0 0 0 0 13 9 2 0 0 0 0 26 27 3 0 0 0 0 M END > Example27 $$$$ -ISIS- 04220312222D 30 33 0 0 0 0 0 0 0 0999 V2000 13.5958 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6517 2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2152 2.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4985 2.5257 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.1191 2.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2625 3.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0708 2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3587 2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9304 2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2142 2.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9220 3.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3512 3.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7875 2.5375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 -0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6527 2.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6516 2.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1497 1.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6495 2.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6466 2.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1479 2.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1417 2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1375 3.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1458 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1417 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1375 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6375 -0.1708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.1422 0.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6438 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1314 -1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6343 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15 16 2 0 0 0 0 4 5 1 0 0 0 0 16 17 1 0 0 0 0 8 9 1 0 0 0 0 17 18 2 0 0 0 0 5 1 2 0 0 0 0 18 19 1 0 0 0 0 9 10 2 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 1 2 1 0 0 0 0 19 21 1 0 0 0 0 10 11 1 0 0 0 0 21 22 2 0 0 0 0 5 6 1 0 0 0 0 17 23 1 0 0 0 0 11 12 2 0 0 0 0 23 24 3 0 0 0 0 12 7 1 0 0 0 0 24 25 1 0 0 0 0 2 3 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 10 13 1 0 0 0 0 4 7 1 0 0 0 0 3 4 1 0 0 0 0 7 8 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 14 1 0 0 0 0 14 29 1 0 0 0 0 29 30 1 0 0 0 0 1 21 1 0 0 0 0 M END > Example3 $$$$ -ISIS- 04220312222D 34 38 0 0 0 0 0 0 0 0999 V2000 3.4194 -15.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4182 -15.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 -16.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4162 -15.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4133 -15.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9146 -14.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -14.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -14.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -15.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4601 -15.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0235 -15.8576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3069 -15.3618 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9275 -14.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -14.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -15.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1670 -15.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7388 -15.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0225 -15.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 -14.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1595 -14.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5958 -15.3500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 -16.6083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4074 -16.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 -17.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8883 -17.7522 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3892 -17.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3998 -16.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -18.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 -18.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -18.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3899 -18.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 -19.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8835 -19.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3816 -19.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16 17 1 0 0 0 0 7 9 1 0 0 0 0 17 18 2 0 0 0 0 9 10 1 0 0 0 0 18 19 1 0 0 0 0 1 2 2 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 5 6 2 0 0 0 0 18 21 1 0 0 0 0 6 1 1 0 0 0 0 3 22 1 0 0 0 0 22 23 1 0 0 0 0 3 4 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 9 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 5 7 1 0 0 0 0 25 28 1 0 0 0 0 13 14 1 0 0 0 0 28 29 1 0 0 0 0 2 3 1 0 0 0 0 29 30 2 0 0 0 0 12 15 1 0 0 0 0 30 31 1 0 0 0 0 7 8 2 0 0 0 0 31 32 2 0 0 0 0 15 16 2 0 0 0 0 32 33 1 0 0 0 0 4 5 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 M END > Example33 $$$$ -ISIS- 04220312222D 31 34 0 0 0 0 0 0 0 0999 V2000 11.6652 -15.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6641 -15.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1622 -16.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6620 -15.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6591 -15.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1604 -14.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -14.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1500 -14.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6500 -15.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7059 -15.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2693 -15.8535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5527 -15.3576 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.1733 -14.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3167 -14.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1250 -15.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4128 -15.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9846 -15.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2684 -15.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9762 -14.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4053 -14.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8417 -15.3458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 -16.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6542 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2458 -16.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 -17.4417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.9482 -17.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7976 -18.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2006 -18.5483 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.7565 -18.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9094 -17.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0500 -19.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 8 2 0 0 0 0 15 16 2 0 0 0 0 4 5 1 0 0 0 0 16 17 1 0 0 0 0 7 9 1 0 0 0 0 17 18 2 0 0 0 0 9 10 1 0 0 0 0 18 19 1 0 0 0 0 1 2 2 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 5 6 2 0 0 0 0 18 21 1 0 0 0 0 6 1 1 0 0 0 0 3 22 1 0 0 0 0 3 4 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 23 24 2 0 0 0 0 11 12 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 12 13 1 0 0 0 0 13 9 2 0 0 0 0 5 7 1 0 0 0 0 13 14 1 0 0 0 0 2 3 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 12 15 1 0 0 0 0 28 31 1 0 0 0 0 M END > Example38 $$$$ -ISIS- 04220312222D 30 33 0 0 0 0 0 0 0 0999 V2000 -1.3042 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2483 -3.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6848 -3.6701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4015 -3.1743 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7809 -2.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1708 -3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4587 -3.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0304 -3.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 -3.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -2.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 -2.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -3.1625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2723 -2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2734 -3.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7753 -3.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 -3.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2784 -2.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7771 -2.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -2.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7792 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2783 -4.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2825 -5.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -5.5500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -4.2762 -5.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7756 -5.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7803 -6.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2935 -6.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7898 -6.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 8 2 0 0 0 0 15 16 1 0 0 0 0 4 5 1 0 0 0 0 16 17 2 0 0 0 0 8 9 1 0 0 0 0 17 18 1 0 0 0 0 5 1 2 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 9 10 2 0 0 0 0 18 20 1 0 0 0 0 1 2 1 0 0 0 0 20 21 2 0 0 0 0 10 11 1 0 0 0 0 16 22 1 0 0 0 0 5 6 1 0 0 0 0 22 23 2 0 0 0 0 11 12 2 0 0 0 0 23 24 1 0 0 0 0 12 7 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 2 3 2 0 0 0 0 10 13 1 0 0 0 0 4 7 1 0 0 0 0 3 4 1 0 0 0 0 14 15 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 1 20 1 0 0 0 0 M END > Example4 $$$$ -ISIS- 04220312222D 28 31 0 0 0 0 0 0 0 0999 V2000 -4.8601 -24.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -24.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3584 -25.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8602 -25.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3605 -25.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3625 -24.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3514 -22.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3526 -23.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8544 -23.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3547 -23.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3575 -22.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8562 -22.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -22.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8667 -21.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 -22.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3108 -23.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7473 -23.4076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -22.9118 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8434 -22.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -21.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8917 -22.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6038 -23.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0321 -23.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2517 -22.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 -22.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6113 -22.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -22.9000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 -24.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7 8 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 4 5 1 0 0 0 0 8 9 1 0 0 0 0 1 2 2 0 0 0 0 9 10 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 15 2 0 0 0 0 5 6 2 0 0 0 0 19 20 1 0 0 0 0 10 11 1 0 0 0 0 18 21 1 0 0 0 0 6 1 1 0 0 0 0 21 22 2 0 0 0 0 11 12 2 0 0 0 0 22 23 1 0 0 0 0 12 7 1 0 0 0 0 23 24 2 0 0 0 0 3 4 2 0 0 0 0 24 25 1 0 0 0 0 11 13 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 2 3 1 0 0 0 0 24 27 1 0 0 0 0 13 14 2 0 0 0 0 9 28 1 0 0 0 0 28 6 1 0 0 0 0 M END > Example43 $$$$ -ISIS- 04220312222D 27 29 0 0 0 0 0 0 0 0999 V2000 3.7361 -22.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7349 -23.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2331 -23.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7328 -23.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -22.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2313 -22.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -22.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -21.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -22.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7767 -23.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3402 -23.2035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6235 -22.7076 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2441 -22.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -21.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -22.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4837 -23.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0554 -23.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3392 -22.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0470 -22.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 -22.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9125 -22.6958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -23.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -24.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -23.9500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.3708 -23.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -24.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -23.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5 7 1 0 0 0 0 13 14 1 0 0 0 0 2 3 1 0 0 0 0 12 15 1 0 0 0 0 7 8 2 0 0 0 0 15 16 2 0 0 0 0 4 5 1 0 0 0 0 16 17 1 0 0 0 0 7 9 1 0 0 0 0 17 18 2 0 0 0 0 9 10 1 0 0 0 0 18 19 1 0 0 0 0 1 2 2 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 5 6 2 0 0 0 0 18 21 1 0 0 0 0 6 1 1 0 0 0 0 3 22 1 0 0 0 0 3 4 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 2 0 0 0 0 12 13 1 0 0 0 0 24 26 2 0 0 0 0 13 9 2 0 0 0 0 24 27 1 0 0 0 0 M END > Example50 $$$$ -ISIS- 04220312222D 30 33 0 0 0 0 0 0 0 0999 V2000 5.7500 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8059 -3.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3693 -3.3910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6527 -2.8951 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2733 -2.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -1.9083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5128 -3.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0846 -3.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3684 -2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -2.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5053 -2.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -2.8833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 -2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8474 -3.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3456 -3.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 -3.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8425 -2.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3438 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3333 -1.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8425 -4.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8384 -5.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -5.2875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8446 -4.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3453 -5.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3405 -5.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8273 -6.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -5.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 8 2 0 0 0 0 15 16 1 0 0 0 0 4 5 1 0 0 0 0 16 17 2 0 0 0 0 8 9 1 0 0 0 0 17 18 1 0 0 0 0 5 1 2 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 9 10 2 0 0 0 0 18 20 1 0 0 0 0 1 2 1 0 0 0 0 20 21 2 0 0 0 0 10 11 1 0 0 0 0 16 22 1 0 0 0 0 5 6 1 0 0 0 0 22 23 1 0 0 0 0 11 12 2 0 0 0 0 23 24 1 0 0 0 0 12 7 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 2 3 2 0 0 0 0 10 13 1 0 0 0 0 4 7 1 0 0 0 0 3 4 1 0 0 0 0 14 15 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 1 20 1 0 0 0 0 M END > Example6 $$$$ -ISIS- 04220312222D 30 33 0 0 0 0 0 0 0 0999 V2000 12.7958 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8517 -3.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4152 -3.5285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6985 -3.0326 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.3191 -2.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -2.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2708 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5587 -3.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1304 -3.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4142 -3.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1220 -2.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5512 -2.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9875 -3.0208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9152 -2.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9141 -3.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4122 -3.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9120 -3.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9091 -2.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4104 -2.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4000 -2.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4083 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4042 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4000 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9000 -5.7458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.4047 -5.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9063 -5.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3939 -6.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8968 -6.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15 16 2 0 0 0 0 4 5 1 0 0 0 0 16 17 1 0 0 0 0 8 9 1 0 0 0 0 17 18 2 0 0 0 0 5 1 2 0 0 0 0 18 19 1 0 0 0 0 9 10 2 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 1 2 1 0 0 0 0 19 21 1 0 0 0 0 10 11 1 0 0 0 0 21 22 2 0 0 0 0 5 6 1 0 0 0 0 17 23 1 0 0 0 0 11 12 2 0 0 0 0 23 24 3 0 0 0 0 12 7 1 0 0 0 0 24 25 1 0 0 0 0 2 3 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 10 13 1 0 0 0 0 4 7 1 0 0 0 0 3 4 1 0 0 0 0 7 8 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 14 1 0 0 0 0 14 29 1 0 0 0 0 29 30 1 0 0 0 0 1 21 1 0 0 0 0 M END > Example9 $$$$