BN39PI -OEChem-04022116443D 54 56 0 1 0 0 0 0 0999 V2000 -8.2364 1.8350 1.2692 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6251 -0.1063 0.9925 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4511 -4.1518 -0.0912 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3446 -1.0198 -1.5059 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1568 -0.7545 -1.0112 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4207 -2.1415 0.5256 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 -1.1136 0.4292 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4541 -0.9457 0.5118 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6696 -0.4577 0.7614 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 -1.7600 -0.1640 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0449 -3.2662 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8286 -3.8915 -0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 -1.2497 0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4532 -3.4288 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6402 -1.6537 1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2677 -0.0891 0.5319 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2033 -0.7916 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6065 1.2863 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4993 -0.9082 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4278 2.2312 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5675 2.2726 -1.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1998 3.0625 1.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7229 0.2746 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4793 3.1452 -1.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1116 3.9351 1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2513 3.9765 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8314 0.6496 0.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6512 0.6225 -1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8683 1.3725 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6881 1.3453 -1.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7967 1.7204 -1.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8575 -1.4600 -1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9551 -3.6220 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1124 -3.5719 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -3.6429 -1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8878 -4.9817 -0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0406 -0.9055 1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2153 -2.4971 1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3955 -0.9813 1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9324 0.0270 1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4299 1.7459 0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 1.1852 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2022 -0.5056 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2478 -1.8251 0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7994 -0.6709 1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 1.6391 -2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8616 3.0376 1.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8103 3.1786 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9336 4.5818 1.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 4.6559 -0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8862 0.3779 1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8275 0.3689 -1.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6336 1.6168 -2.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5972 2.2834 -1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 17 2 0 0 0 0 5 19 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 37 1 0 0 0 0 8 16 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 19 1 0 0 0 0 9 23 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 15 19 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 25 2 0 0 0 0 22 47 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 30 2 0 0 0 0 28 52 1 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END $$$$