RDKit 3D 110110 0 0 0 0 0 0 0 0999 V2000 -6.7843 4.4421 -1.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3101 3.2152 -0.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2232 2.8138 -1.7234 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 1.9979 -1.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8566 1.0276 -2.1397 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3005 2.1555 -0.1329 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9757 2.8780 1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7889 0.7783 0.2853 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2726 0.7092 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9085 0.9213 -1.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5971 0.8820 -1.6238 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7268 1.1093 -3.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2782 2.0123 -0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 2.8475 -0.3299 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7165 2.1545 -1.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 1.3032 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9194 1.3843 -1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7075 2.4731 -1.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5815 0.4423 -2.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 0.4720 -2.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7107 -0.7752 -2.1313 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2020 -2.0175 -2.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4232 -0.7667 -0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0365 -1.9577 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4964 -2.0105 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3724 -0.9246 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5841 -0.3355 1.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5748 0.3831 2.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4015 -0.3466 2.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 -0.2452 -0.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -1.5567 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 -2.4262 -1.0211 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5818 -2.1871 0.5724 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8565 -1.2586 1.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 -1.7008 2.7055 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0503 -0.7491 3.7166 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6784 -0.4535 4.0003 S 0 0 2 0 0 6 0 0 0 0 0 0 -8.0059 -0.5929 5.4629 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4361 -1.5734 3.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2029 0.9821 3.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5106 -3.0224 3.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4038 -3.1231 4.7584 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -4.0732 2.7019 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6835 -2.6978 -0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5691 -2.2054 -1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4153 -2.6817 -2.3286 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6853 -1.2313 -1.0323 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6803 -1.5020 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2869 0.2008 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1323 0.9596 -0.0026 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9474 2.3481 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3791 2.9450 1.1319 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3459 5.1133 -1.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5895 4.8031 -0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2658 3.1835 -2.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3701 2.7603 -0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1422 3.2806 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5062 3.7598 0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5270 2.1975 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8709 0.7924 1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -0.3584 0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 1.3195 0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2644 1.8459 -1.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 0.0738 -1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0328 -0.0992 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2286 1.4587 -3.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0815 0.2053 -3.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4456 1.9297 -3.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2175 3.0090 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9382 0.4480 -2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2365 2.9712 -2.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 2.1030 -0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1156 3.2671 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9759 -0.3476 -2.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3281 0.5027 -3.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4691 1.3744 -2.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7921 -0.7023 -2.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4830 -2.5646 -2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 -1.6961 -3.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0344 -2.6375 -3.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8731 0.1687 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3351 -0.7057 -0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6525 -2.1188 1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6502 -2.9053 -0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8145 -2.9561 0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7140 -2.3417 -1.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2130 -0.0098 -0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4313 -1.2405 -0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4520 0.4254 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0888 -1.1074 2.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0588 0.8993 3.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2106 1.2949 1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6331 -1.4213 3.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5266 -0.1718 2.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1188 0.0541 3.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0594 -3.0832 1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0027 -0.2403 1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8847 -1.1387 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8295 -1.8725 2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0049 1.3284 3.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6783 -2.5704 5.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0298 -3.7309 5.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8511 -3.7696 0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3086 -1.4243 -1.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6974 -1.6724 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4674 -2.4261 0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7691 -0.6532 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4296 0.2886 -1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1303 0.7167 -1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1619 0.4474 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 8 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 37 36 1 1 37 38 2 0 37 39 2 0 37 40 1 0 35 41 1 0 41 42 1 0 41 43 2 0 33 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 2 1 0 1 53 1 0 1 54 1 0 3 55 1 0 6 56 1 6 7 57 1 0 7 58 1 0 7 59 1 0 8 60 1 1 9 61 1 0 9 62 1 0 10 63 1 0 10 64 1 0 11 65 1 6 12 66 1 0 12 67 1 0 12 68 1 0 15 69 1 0 16 70 1 0 18 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 21 77 1 1 22 78 1 0 22 79 1 0 22 80 1 0 23 81 1 0 23 82 1 0 24 83 1 0 24 84 1 0 25 85 1 0 25 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 29 95 1 0 33 96 1 1 34 97 1 0 34 98 1 0 35 99 1 6 40100 1 0 42101 1 0 42102 1 0 44103 1 0 47104 1 6 48105 1 0 48106 1 0 48107 1 0 49108 1 0 49109 1 0 50110 1 0 M END