B4NTA5 -OEChem-04022117483D 43 45 0 1 0 0 0 0 0999 V2000 6.5753 -0.0806 -0.5680 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0825 0.0016 1.5482 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2546 1.8364 0.3940 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9961 -0.3088 -0.3334 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5486 0.9194 -0.5147 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 -0.5684 0.1288 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2389 0.2450 -0.8786 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7101 -2.5125 0.3102 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8303 1.7720 -0.2865 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5461 2.0808 1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 0.7019 -0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9185 1.4989 -1.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9956 -1.2040 0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6618 -0.7050 -0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5764 2.5715 2.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3479 -1.9887 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4715 -2.8803 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 0.3213 -0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1327 -4.3249 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0841 -0.2015 0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 0.9208 -1.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 0.4747 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4443 -0.1246 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8432 0.9976 -1.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7783 0.5575 0.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 2.7007 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0613 1.1841 1.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3096 2.8522 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5071 0.6100 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6015 2.3503 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4594 1.3299 -2.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8416 1.8028 2.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 2.8301 3.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0399 3.4638 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6424 -2.4095 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1358 1.0201 -1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4075 -4.5721 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 -4.5231 0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7013 -4.9624 -0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 -0.6457 1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1204 1.3313 -2.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 -0.5312 1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5208 1.4664 -1.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 11 2 0 0 0 0 6 11 1 0 0 0 0 6 13 2 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 36 1 0 0 0 0 8 13 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 10 15 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 14 16 2 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 23 1 0 0 0 0 20 40 1 0 0 0 0 21 24 2 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$