B4T7FG -OEChem-04022102122D 43 44 0 1 0 0 0 0 0999 V2000 4.5411 -0.4987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1819 4.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 1.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 2.1749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5996 4.0020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9954 2.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 3.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0009 2.9839 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5777 3.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1765 4.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5942 3.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 1.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 2.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5527 2.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9476 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3843 3.0487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5129 2.9673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1943 3.5191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6425 4.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7428 4.8541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9243 5.1684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 4.3498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7965 2.2397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3474 4.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2352 3.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 0.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -0.6903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.8965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 21 1 0 0 0 0 4 43 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 34 1 0 0 0 0 6 12 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 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 13 14 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$