B51NMB -OEChem-04022106493D 47 52 0 0 0 0 0 0 0999 V2000 3.6230 2.9244 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9736 2.7163 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8694 0.3255 0.0037 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0701 -2.3155 -0.0018 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 3.1981 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 -0.0880 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1047 1.0791 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -1.2913 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7116 1.0228 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2714 -0.4320 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0123 -0.1632 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3532 -1.8271 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7437 -1.3540 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4881 2.4901 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1985 2.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4327 -0.2194 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4819 0.2956 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5691 -2.5222 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7063 -0.3849 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7471 -1.7746 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1296 -0.2467 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1297 -0.2463 -1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2203 -0.3278 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5233 -0.3009 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5235 -0.3006 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6661 -0.3857 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3148 -1.6205 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4112 0.7935 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7085 -1.6764 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8050 0.7376 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4536 -0.4972 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 -2.3212 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 -3.2973 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4753 1.3798 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2644 4.2111 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5985 -3.6069 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7036 -2.2917 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6015 -0.2257 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6017 -0.2250 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 -0.3216 2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0513 -0.3210 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6602 1.2753 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7492 -2.5494 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9216 1.7644 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2137 -2.6378 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3854 1.6557 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5388 -0.5406 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 2 0 0 0 0 3 19 1 0 0 0 0 3 42 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 33 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 18 1 0 0 0 0 13 32 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 20 37 1 0 0 0 0 21 24 1 0 0 0 0 21 38 1 0 0 0 0 22 25 2 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 43 1 0 0 0 0 28 30 2 0 0 0 0 28 44 1 0 0 0 0 29 31 2 0 0 0 0 29 45 1 0 0 0 0 30 31 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 M END $$$$