BV91JA -OEChem-04022110003D 55 58 0 0 0 0 0 0 0999 V2000 3.9300 0.3814 -0.0314 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8288 -2.0507 1.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9171 -2.4924 -0.1586 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 0.1995 1.1944 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3918 -0.1156 -0.1133 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 -0.9583 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0136 -1.6751 1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9016 -1.6445 -1.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5347 -1.8098 1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 -1.7804 -1.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -1.0602 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0606 -0.0075 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 1.4429 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6826 1.3238 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3837 -0.2984 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6789 2.7041 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9079 2.4951 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8992 3.8576 -0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 3.7531 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9854 -1.0416 -0.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3496 -1.2899 -0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0604 -0.7945 0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3659 -0.0624 1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4861 -1.0362 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8343 -0.2829 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9454 1.0697 -0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3887 -1.0834 -1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 2.2564 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5768 -2.6762 1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 -1.1149 2.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 -1.0625 -2.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -2.6427 -1.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0155 -0.8256 1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 -2.3896 1.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7203 -2.3388 -2.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 -0.7946 -1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4919 -2.0728 0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9333 -2.5605 -0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7621 2.7923 -0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1781 2.4580 0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3717 4.8346 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 4.6496 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4311 -1.4213 -1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8495 -1.8682 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 0.3423 2.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0524 -0.8163 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3160 0.6986 0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0034 0.8711 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6793 1.3052 -1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2027 -0.5810 -2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9270 -2.0751 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4694 -1.2157 -1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7165 2.5179 0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 2.0691 0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4344 3.1299 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 24 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 38 1 0 0 0 0 4 15 2 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END $$$$