BGI9A1 -OEChem-04022107312D 52 55 0 1 0 0 0 0 0999 V2000 2.0000 -2.9785 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 0.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -1.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 -0.7614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.1738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1477 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7905 0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1262 -1.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7690 0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4368 -0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -0.2233 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8335 -0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 2.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1406 3.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2872 -1.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6213 -1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3789 -1.8747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7699 1.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1767 0.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1467 -1.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7400 -1.1806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2953 0.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5377 1.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9837 -0.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8194 0.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3087 -1.3507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 -0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6402 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8046 0.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -3.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8904 1.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2233 2.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3936 2.7561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7265 3.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3117 3.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 14 2 0 0 0 0 3 17 2 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 40 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 45 1 0 0 0 0 21 25 2 0 0 0 0 21 46 1 0 0 0 0 22 26 1 0 0 0 0 22 47 1 0 0 0 0 23 27 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 M END $$$$