BR9PD5 -OEChem-04042103263D 43 47 0 1 0 0 0 0 0999 V2000 -4.5750 1.1685 0.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3994 0.0504 -0.3175 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 0.2923 0.2615 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4628 -0.6046 0.2500 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0760 0.7376 -0.3497 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0061 -0.7391 -0.1198 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7711 0.4493 0.5491 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4119 1.8879 0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1257 1.8319 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5218 -1.7324 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6197 -2.0551 0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4831 0.4063 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7602 -0.9227 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9286 0.8803 -1.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2701 0.3505 0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0554 -2.1667 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8643 -0.8997 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1327 -0.9506 0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 1.4751 0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2522 -0.9832 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4849 1.3760 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0575 0.1481 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4924 -0.5168 1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 -0.6926 -1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6766 0.3268 1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6574 1.8517 1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 2.8525 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 2.5996 0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3976 2.1327 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -2.5372 0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3985 -2.1361 -1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0452 -2.9141 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6054 -2.1041 1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8931 1.0205 -2.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 1.7475 -2.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 0.0033 -2.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0373 -2.4307 -1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5513 -2.9871 0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7905 -1.7926 0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7049 2.4517 0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6996 -1.9461 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1045 2.2646 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6224 -0.8749 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 22 1 0 0 0 0 2 43 1 0 0 0 0 3 18 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 16 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 13 18 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$