BI13JD -OEChem-04022103413D 44 45 0 0 0 0 0 0 0999 V2000 -6.3223 1.0502 -0.1406 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1881 2.7696 0.1865 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5028 -2.1769 0.7809 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.2556 -2.0670 -1.3977 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5308 2.3929 -0.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4901 -2.0899 0.5978 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9182 -1.7355 -0.2365 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3787 -0.0282 0.0126 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6552 -0.4681 0.1081 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4665 -0.4544 0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0587 0.5481 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8362 -0.8280 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9851 1.4232 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5401 -1.3293 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6891 0.9220 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0972 -0.9832 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0172 -0.2701 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9871 0.1451 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7779 1.3511 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4274 3.3464 1.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9254 1.1341 -0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3525 -0.9138 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4112 -1.1379 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2879 0.8403 -0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7739 -1.4318 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5429 0.4337 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7123 -0.4428 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3697 -2.4039 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8819 1.6342 0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0307 -2.0314 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0019 0.7689 -0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8491 1.5653 -1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6214 0.5124 -2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2633 2.2389 -1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5656 3.1913 2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3274 2.9191 1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5786 4.4214 1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7053 -1.9300 0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0302 1.6008 -0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1046 -2.4307 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2484 1.4621 -0.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7732 -0.6718 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2243 0.9406 -0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3184 2.9380 -0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 21 1 0 0 0 0 5 44 1 0 0 0 0 6 22 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 43 1 0 0 0 0 9 26 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 22 1 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 18 23 2 0 0 0 0 18 26 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 24 2 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 27 1 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$