BVW4K6 -OEChem-04022112563D 93 95 0 1 0 0 0 0 0999 V2000 -8.3265 -1.4439 -0.0429 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7972 -4.6501 0.8029 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -3.4358 -0.9776 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9255 0.1538 1.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4566 1.5491 -1.7913 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8508 -0.3433 0.5213 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2094 3.2839 1.4475 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3151 2.1973 -0.1744 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9270 0.1053 0.2042 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1112 -2.1424 1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9379 -1.3805 -0.1773 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6334 -2.1081 -1.1969 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7692 -3.6864 -1.0154 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -1.3961 0.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1035 -1.3230 -1.9447 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1171 2.1413 0.3544 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 3.0640 -0.8249 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8591 1.2206 -0.8753 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1915 2.2106 1.9516 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -2.5876 -1.7590 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4301 -2.9152 -3.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 -4.7576 -1.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4906 -4.4379 -3.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 -2.5753 1.2138 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1313 -3.7256 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 -2.9193 2.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6427 -2.5235 -1.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2361 -2.7607 3.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8599 -2.0453 3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -0.1115 1.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 0.9590 0.6176 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2834 -0.9512 -1.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5569 3.5714 -0.8270 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8179 4.4251 -2.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0144 1.2451 1.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 2.3274 -0.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9528 2.3341 0.0627 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3129 -0.0170 -0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5574 2.8991 0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7146 1.9877 1.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 5.6582 -2.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 4.8431 -2.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 1.9268 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1024 1.4866 1.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1656 2.3857 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3245 0.1235 0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 1.9214 0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6098 -0.3408 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6730 0.5581 0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5992 -1.6331 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 -2.5107 -3.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6835 -2.5286 -3.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8826 -5.7320 -1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2624 -4.7251 -2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4754 -4.8523 -3.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0332 -4.8377 -4.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6034 -2.3751 0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -3.9605 2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3478 -1.5208 0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5515 -1.7134 3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9461 -3.3029 2.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -3.1596 4.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2684 -1.0487 3.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7328 -2.5020 4.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 -1.9586 3.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 -0.6377 -2.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3423 0.6110 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9015 -1.8273 -1.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6283 -0.4717 -2.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 4.1535 0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5954 3.8491 -2.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9795 2.8010 1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3763 0.3100 2.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6371 1.8679 2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 3.1217 -0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1838 2.7112 -1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2186 1.3812 -1.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7852 2.8739 1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1779 1.2474 1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 6.2721 -1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1186 6.2829 -2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1449 5.3807 -2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5887 5.3858 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9515 3.9812 -2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4607 5.5009 -2.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0047 3.4504 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5188 -0.5976 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0879 1.9767 2.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0555 2.6683 1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2752 2.6264 0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7356 -1.4092 0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2347 -3.1121 1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4244 -2.1927 -0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 2 25 2 0 0 0 0 3 27 2 0 0 0 0 4 30 2 0 0 0 0 5 36 2 0 0 0 0 6 38 2 0 0 0 0 7 39 2 0 0 0 0 8 43 2 0 0 0 0 9 49 1 0 0 0 0 10 92 1 0 0 0 0 11 93 1 0 0 0 0 13 20 1 0 0 0 0 13 22 1 0 0 0 0 13 25 1 0 0 0 0 14 24 1 0 0 0 0 14 30 1 0 0 0 0 14 59 1 0 0 0 0 15 27 1 0 0 0 0 15 32 1 0 0 0 0 15 66 1 0 0 0 0 16 31 1 0 0 0 0 16 36 1 0 0 0 0 16 72 1 0 0 0 0 17 33 1 0 0 0 0 17 39 1 0 0 0 0 17 76 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 77 1 0 0 0 0 19 43 1 0 0 0 0 19 88 1 0 0 0 0 19 89 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 20 50 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 26 58 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 31 35 1 0 0 0 0 31 67 1 0 0 0 0 32 38 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 34 1 0 0 0 0 33 36 1 0 0 0 0 33 70 1 0 0 0 0 34 41 1 0 0 0 0 34 42 1 0 0 0 0 34 71 1 0 0 0 0 35 43 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 37 75 1 0 0 0 0 40 44 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 42 83 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 45 86 1 0 0 0 0 46 48 2 0 0 0 0 46 87 1 0 0 0 0 47 49 2 0 0 0 0 47 90 1 0 0 0 0 48 49 1 0 0 0 0 48 91 1 0 0 0 0 M END $$$$