RDKit 3D 103107 0 0 0 0 0 0 0 0999 V2000 -0.0797 6.7125 3.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5263 5.8201 2.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0882 5.7924 1.5428 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6185 5.0350 2.8285 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 4.1578 1.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 3.0750 1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0395 3.0702 1.9436 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 2.0697 0.6749 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8255 0.9766 0.2247 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4189 0.2775 1.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7073 -1.1303 1.6649 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5106 -1.5242 2.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7848 -0.8222 3.8217 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8402 -2.9574 2.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2459 -3.3186 2.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -3.7888 3.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6594 -3.1237 1.0761 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6544 -3.9462 0.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 -5.1874 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -6.0935 -0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -5.4907 -0.0355 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6686 -1.7201 0.6524 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4743 -1.2929 -0.7159 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6903 -1.8281 -1.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7436 0.2167 -0.6795 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7525 0.7317 -1.9603 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8223 1.2531 -2.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6667 1.7707 -4.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9369 1.2669 -2.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 -1.6561 -1.4851 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6675 -1.5016 -2.8691 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7268 -2.5731 -3.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -2.2831 -5.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4433 -3.7059 -3.3012 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9488 -0.8680 -1.3431 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7993 -1.2872 -0.3226 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 -1.2562 -2.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -0.1984 -2.5994 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1464 -0.8546 -2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 0.8850 -1.6227 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9822 0.6132 -0.3546 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7785 1.4597 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0376 2.5886 -0.1368 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3346 1.1362 1.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1277 2.0388 2.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 1.7347 3.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 0.5243 4.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6202 -0.3900 3.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -0.0716 2.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9165 0.5755 -1.5632 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3227 1.4936 -0.5594 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1320 2.5950 -1.3728 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4144 3.8427 -1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 4.8963 -2.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 4.0741 -0.6095 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8782 7.1976 3.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8384 7.5143 3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1067 6.1162 4.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 4.7236 1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0361 3.6481 2.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 0.4064 1.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7552 0.8140 2.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1957 -1.7993 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6992 -4.0293 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9398 -2.4740 3.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2404 -3.9196 3.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2809 -4.7750 3.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5357 -3.2881 4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0745 -3.8412 2.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6351 -3.5596 0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2519 -5.5608 -0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9168 -6.6173 -1.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 -6.8646 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6853 -1.3061 0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5712 -1.7199 -0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7983 -1.1988 -2.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5733 -2.8826 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7795 0.2879 -0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8559 0.9839 -4.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 2.2059 -4.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 2.5928 -4.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -2.7240 -1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2319 -2.1083 -5.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6966 -1.2991 -5.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -3.0360 -5.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6029 -2.2522 -0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -2.2811 -2.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2003 -1.1035 -3.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0385 0.2159 -3.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -1.0811 -1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0607 -0.3099 -2.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2132 -1.8478 -2.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6424 1.8657 -2.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3570 3.0079 1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2878 2.4281 4.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8145 0.2600 5.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4155 -1.3406 3.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4794 -0.8125 1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5739 0.7512 -2.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1198 1.8848 0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2122 4.6562 -3.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2563 4.7489 -2.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 5.9088 -1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 39 38 1 0 38 37 1 0 37 35 1 0 35 36 1 1 35 50 1 0 50 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 2 0 51 9 1 0 9 10 1 0 10 11 1 0 11 22 1 0 22 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 2 0 17 14 1 0 14 15 1 0 14 16 1 0 14 12 1 0 12 13 2 0 22 23 1 0 23 24 1 6 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 2 0 23 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 2 0 9 8 1 1 8 6 1 0 6 7 2 0 6 5 1 0 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 40 38 1 0 49 44 1 0 25 9 1 0 30 35 1 0 12 11 1 0 39 90 1 0 39 91 1 0 39 92 1 0 38 89 1 6 37 87 1 0 37 88 1 0 36 86 1 0 50 99 1 6 40 93 1 6 45 94 1 0 46 95 1 0 47 96 1 0 48 97 1 0 49 98 1 0 51100 1 1 54101 1 0 54102 1 0 54103 1 0 10 61 1 0 10 62 1 0 11 63 1 1 22 74 1 1 17 70 1 1 20 71 1 0 20 72 1 0 20 73 1 0 15 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 16 68 1 0 16 69 1 0 24 75 1 0 24 76 1 0 24 77 1 0 25 78 1 1 28 79 1 0 28 80 1 0 28 81 1 0 30 82 1 6 33 83 1 0 33 84 1 0 33 85 1 0 5 59 1 0 5 60 1 0 1 56 1 0 1 57 1 0 1 58 1 0 M END