TITL 01SRC090 in Cc OpenBabel08210911413D 102105 0 0 0 0 0 0 0 0999 V2000 7.1704 6.0917 4.5850 C 0 0 0 0 0 7.3928 6.4998 3.2600 C 0 0 0 0 0 8.0983 6.1055 2.7608 H 0 0 0 0 0 6.5926 7.4757 2.6666 C 0 0 0 0 0 6.8125 7.8062 1.8035 H 0 0 0 0 0 5.4923 7.9599 3.3209 C 0 0 0 0 0 5.4350 7.7857 4.6939 C 0 0 0 0 0 4.8354 8.3006 5.2210 H 0 0 0 0 0 6.2703 6.8437 5.2893 C 0 0 0 0 0 4.2711 8.5048 2.6086 C 0 0 0 0 0 4.5518 8.9365 1.7630 H 0 0 0 0 0 3.8431 9.1945 3.1754 H 0 0 0 0 0 3.2321 7.3791 2.2929 C 0 0 0 0 0 2.3560 7.6387 2.6738 H 0 0 0 0 0 3.1244 7.3116 1.3111 H 0 0 0 0 0 3.6187 6.0049 2.8407 C 0 0 0 0 0 3.2707 5.6484 4.1594 C 0 0 0 0 0 2.5093 6.0427 4.5685 H 0 0 0 0 0 4.0256 4.7323 4.8607 C 0 0 0 0 0 5.1679 4.1574 4.2913 C 0 0 0 0 0 5.3223 4.3164 2.9297 C 0 0 0 0 0 5.9711 3.7965 2.4701 H 0 0 0 0 0 4.5593 5.2076 2.2305 C 0 0 0 0 0 4.6822 5.2793 1.2912 H 0 0 0 0 0 6.3791 3.7028 5.1432 C 0 0 0 0 0 6.6812 2.8110 4.8373 H 0 0 0 0 0 6.1048 3.6251 6.0912 H 0 0 0 0 0 7.5761 4.7355 5.0229 C 0 0 0 0 0 8.0227 4.8071 5.9036 H 0 0 0 0 0 8.2386 4.3794 4.3792 H 0 0 0 0 0 3.6413 4.5232 6.3282 C 0 0 0 0 0 2.7524 2.2914 5.7445 C 0 0 0 0 0 2.7934 2.6418 4.8194 H 0 0 0 0 0 1.8233 1.9942 5.9131 H 0 0 0 0 0 3.6640 1.1142 5.8559 C 0 0 0 0 0 4.5650 1.3704 5.5680 H 0 0 0 0 0 3.3326 0.3894 5.2856 H 0 0 0 0 0 3.6926 0.8102 6.7871 H 0 0 0 0 0 2.6356 3.2113 8.0872 C 0 0 0 0 0 2.5734 2.2469 8.3018 H 0 0 0 0 0 3.3115 3.6138 8.6883 H 0 0 0 0 0 1.3761 3.8246 8.3235 C 0 0 0 0 0 1.0398 3.5519 9.2027 H 0 0 0 0 0 0.7418 3.5458 7.6304 H 0 0 0 0 0 1.4777 4.7990 8.3004 H 0 0 0 0 0 3.9196 3.0870 8.8886 C 0 0 0 0 0 4.6484 3.5336 8.4093 H 0 0 0 0 0 4.1396 2.1395 9.0082 H 0 0 0 0 0 3.7994 3.5076 9.7655 H 0 0 0 0 0 3.0796 3.3711 6.6740 N 0 0 0 0 0 6.1420 6.5815 6.6501 O 0 0 0 0 0 5.4368 6.1456 6.7860 H 0 0 0 0 0 3.8290 5.4378 7.1513 O 0 0 0 0 0 5.3534 13.0206 8.2636 C 0 0 0 0 0 5.5296 13.3738 9.5435 C 0 0 0 0 0 6.2609 12.9939 10.0163 H 0 0 0 0 0 4.7382 14.2271 10.1915 C 0 0 0 0 0 4.9140 14.4112 11.1067 H 0 0 0 0 0 3.6746 14.8510 9.5805 C 0 0 0 0 0 3.6350 14.7053 8.1925 C 0 0 0 0 0 3.0190 15.2214 7.6859 H 0 0 0 0 0 4.4787 13.8209 7.5424 C 0 0 0 0 0 2.4134 15.3025 10.2897 C 0 0 0 0 0 1.9854 16.0141 9.7507 H 0 0 0 0 0 2.6656 15.6986 11.1613 H 0 0 0 0 0 1.3593 14.1614 10.5429 C 0 0 0 0 0 1.2432 14.0367 11.5181 H 0 0 0 0 0 0.4861 14.4360 10.1655 H 0 0 0 0 0 1.7715 12.8695 9.9308 C 0 0 0 0 0 2.7220 12.0503 10.5456 C 0 0 0 0 0 2.8325 12.1047 11.4876 H 0 0 0 0 0 3.4991 11.1727 9.8404 C 0 0 0 0 0 4.1209 10.6223 10.3017 H 0 0 0 0 0 3.3881 11.0729 8.4190 C 0 0 0 0 0 2.2465 11.6143 7.8871 C 0 0 0 0 0 1.4606 12.5200 8.6011 C 0 0 0 0 0 0.7013 12.9085 8.1829 H 0 0 0 0 0 4.5922 10.6503 7.6260 C 0 0 0 0 0 4.3405 10.5769 6.6714 H 0 0 0 0 0 4.8824 9.7547 7.9323 H 0 0 0 0 0 5.7559 11.6214 7.7591 C 0 0 0 0 0 6.1938 11.7156 6.8763 H 0 0 0 0 0 6.4206 11.2372 8.3841 H 0 0 0 0 0 1.8994 11.4387 6.4128 C 0 0 0 0 0 0.8813 10.1339 4.6398 C 0 0 0 0 0 1.6271 10.4339 4.0620 H 0 0 0 0 0 0.7284 9.1712 4.4664 H 0 0 0 0 0 -0.3204 10.8813 4.3029 C 0 0 0 0 0 -1.0732 10.5459 4.8333 H 0 0 0 0 0 -0.5176 10.7704 3.3494 H 0 0 0 0 0 -0.1801 11.8312 4.4991 H 0 0 0 0 0 0.7847 9.3031 6.9940 C 0 0 0 0 0 -0.1337 9.0355 6.7389 H 0 0 0 0 0 0.7472 9.6833 7.9074 H 0 0 0 0 0 1.6755 8.0746 7.0035 C 0 0 0 0 0 1.7485 7.7170 6.0940 H 0 0 0 0 0 1.2871 7.3940 7.5920 H 0 0 0 0 0 2.5663 8.3195 7.3307 H 0 0 0 0 0 1.2568 10.3252 6.0716 N 0 0 0 0 0 4.3685 13.5801 6.1719 O 0 0 0 0 0 3.5779 13.3639 5.9883 H 0 0 0 0 0 2.1976 12.3116 5.5855 O 0 0 0 0 0 2 1 2 0 0 0 1 28 1 0 0 0 1 9 1 0 0 0 4 2 1 0 0 0 3 2 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 10 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 9 51 1 0 0 0 11 10 1 0 0 0 13 10 1 0 0 0 10 12 1 0 0 0 15 13 1 0 0 0 13 14 1 0 0 0 13 16 1 0 0 0 23 16 2 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0 20 19 1 0 0 0 19 31 1 0 0 0 21 20 2 0 0 0 20 25 1 0 0 0 23 21 1 0 0 0 22 21 1 0 0 0 24 23 1 0 0 0 26 25 1 0 0 0 28 25 1 0 0 0 25 27 1 0 0 0 30 28 1 0 0 0 28 29 1 0 0 0 31 50 1 0 0 0 31 53 2 0 0 0 33 32 1 0 0 0 32 35 1 0 0 0 32 34 1 0 0 0 32 50 1 0 0 0 37 35 1 0 0 0 36 35 1 0 0 0 35 38 1 0 0 0 50 39 1 0 0 0 39 40 1 0 0 0 39 42 1 0 0 0 41 46 1 0 0 0 44 42 1 0 0 0 45 42 1 0 0 0 42 43 1 0 0 0 47 46 1 0 0 0 46 48 1 0 0 0 46 49 1 0 0 0 51 52 1 0 0 0 62 54 2 0 0 0 81 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 55 57 2 0 0 0 59 57 1 0 0 0 57 58 1 0 0 0 60 59 2 0 0 0 59 63 1 0 0 0 62 60 1 0 0 0 61 60 1 0 0 0 100 62 1 0 0 0 64 63 1 0 0 0 63 66 1 0 0 0 63 65 1 0 0 0 69 66 1 0 0 0 68 66 1 0 0 0 66 67 1 0 0 0 76 69 2 0 0 0 69 70 1 0 0 0 72 70 2 0 0 0 70 71 1 0 0 0 74 72 1 0 0 0 72 73 1 0 0 0 78 74 1 0 0 0 75 74 2 0 0 0 84 75 1 0 0 0 75 76 1 0 0 0 77 76 1 0 0 0 79 78 1 0 0 0 78 81 1 0 0 0 78 80 1 0 0 0 82 81 1 0 0 0 81 83 1 0 0 0 102 84 2 0 0 0 99 84 1 0 0 0 86 85 1 0 0 0 88 85 1 0 0 0 87 85 1 0 0 0 85 99 1 0 0 0 90 88 1 0 0 0 88 91 1 0 0 0 88 89 1 0 0 0 99 92 1 0 0 0 93 92 1 0 0 0 92 95 1 0 0 0 92 94 1 0 0 0 96 95 1 0 0 0 95 98 1 0 0 0 95 97 1 0 0 0 101100 1 0 0 0 M END