B7KQP1 -OEChem-04012117252D 55 59 0 1 0 0 0 0 0999 V2000 5.2316 -0.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 1.8810 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2641 3.3948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 4.9503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8474 -4.1586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8287 0.3480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8286 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5307 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 2.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6278 -1.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0307 -2.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -1.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4268 -3.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4201 -3.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0172 -2.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 -3.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1973 -4.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2319 -4.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6316 -5.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2175 0.4521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7567 -0.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4336 0.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2270 1.8431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9614 1.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7121 1.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4648 1.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4149 -2.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9912 -0.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 4.7485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6330 -2.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1771 -3.8395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8252 -5.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.9525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.7256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.8787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0632 -6.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8794 -6.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1999 -5.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 5.9156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 5.9156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 14 1 0 0 0 0 2 21 1 0 0 0 0 2 29 1 0 0 0 0 3 23 1 0 0 0 0 3 31 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 12 2 0 0 0 0 5 19 1 0 0 0 0 6 15 1 0 0 0 0 6 19 2 0 0 0 0 7 24 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 9 11 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 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 20 2 0 0 0 0 16 21 1 0 0 0 0 16 39 1 0 0 0 0 17 22 1 0 0 0 0 17 40 1 0 0 0 0 18 25 2 0 0 0 0 18 41 1 0 0 0 0 19 43 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 24 25 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 30 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$