B1PLN8 -OEChem-04022104533D 51 52 0 1 0 0 0 0 0999 V2000 2.3814 3.1084 -0.6616 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9315 0.5502 2.2137 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 4.4380 0.6182 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8256 -0.1631 -1.6128 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9652 0.3925 0.1128 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3368 -1.1423 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9548 -0.4833 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 1.3484 0.3540 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4466 0.7108 0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4253 -2.3697 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6515 -1.6330 -1.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4370 -0.1305 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 -0.3747 -1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5381 0.0051 1.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 0.2224 -1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2841 0.6021 1.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0575 2.5779 -0.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8981 0.0780 1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1907 3.4758 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9419 -0.8954 0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3621 -0.9756 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 -1.7361 1.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3436 -1.8965 -1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4846 -2.6570 1.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9049 -2.7372 -0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3159 -0.3152 -2.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 1.7094 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6367 -3.0965 0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3245 -2.0966 1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -2.8794 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6515 -0.8088 -2.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9359 -2.3921 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6460 -2.0937 -1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3834 0.7689 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3569 0.1897 1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4357 -0.5650 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 -0.7377 -2.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1703 -0.0669 2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2236 0.2947 -1.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9747 0.9766 2.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8517 3.1935 -0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2199 2.2936 -1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9921 -0.0653 -0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1857 -1.6926 2.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 -2.0166 -2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1098 3.7001 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9208 -3.3125 2.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6690 -3.4550 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7803 0.4082 -3.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3803 -0.0665 -3.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0906 -1.3086 -3.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 46 1 0 0 0 0 2 18 2 0 0 0 0 3 19 2 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 27 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 14 16 2 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END $$$$