B7EZ4B -OEChem-04042104373D 55 59 0 0 0 0 0 0 0999 V2000 -5.4490 0.3344 -2.0182 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3964 1.2358 0.0289 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.8444 0.1721 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9951 1.8662 -0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0286 0.2017 -0.9126 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5767 1.4638 1.1077 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9581 -1.2834 0.1738 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2056 2.8287 2.1621 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8211 0.2398 0.0569 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7448 1.5886 0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1115 1.9322 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2712 0.7185 -0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6145 1.3217 -1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8353 1.9525 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2544 0.6277 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9086 0.1261 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4176 -1.1607 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9174 2.8428 0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9712 1.4204 -1.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2581 -2.3228 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4909 -0.0844 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1404 -2.4687 1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1918 -3.3049 -0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9464 -0.6208 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9566 -3.5971 1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0079 -4.4331 -0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2775 0.0354 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8902 -4.5792 0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3665 -0.6623 -0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4380 1.3482 0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7762 1.2658 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6159 -0.0472 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6873 1.9634 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0652 1.0952 -0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4759 3.8442 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9393 2.9654 0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0052 2.4475 1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0880 0.8194 -2.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7226 1.0762 -1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1994 2.4587 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1212 3.2346 2.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5066 3.0568 2.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2022 -1.7211 2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5109 -3.2061 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 1.2375 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6423 -3.7118 2.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9567 -5.1977 -1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5254 -5.4577 0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2609 -1.6841 -0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6265 1.9161 0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4183 -0.6459 -1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8084 2.9838 0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9590 1.7276 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8781 0.8299 -1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2844 0.2180 -0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 24 2 0 0 0 0 4 31 1 0 0 0 0 4 34 1 0 0 0 0 5 12 2 0 0 0 0 5 15 1 0 0 0 0 6 14 1 0 0 0 0 6 15 2 0 0 0 0 7 17 1 0 0 0 0 7 21 2 0 0 0 0 8 14 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 21 1 0 0 0 0 9 24 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 20 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 25 1 0 0 0 0 22 43 1 0 0 0 0 23 26 2 0 0 0 0 23 44 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 48 1 0 0 0 0 29 32 1 0 0 0 0 29 49 1 0 0 0 0 30 33 2 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 M END $$$$