B70UAZ -OEChem-04022106043D 38 39 0 0 0 0 0 0 0999 V2000 5.5309 0.3755 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5865 1.6085 -0.0027 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 0.2247 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8897 -2.9883 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9036 0.1077 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3495 0.0671 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 0.1859 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2403 1.3346 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1726 -1.0804 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 1.3736 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7782 -1.0414 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0476 0.0491 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 0.0467 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4419 0.0102 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4411 0.0080 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1386 -0.0102 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1713 -0.8170 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5142 -0.7976 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1785 0.5383 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 1.5824 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7728 1.2283 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2722 -2.0057 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7948 2.2701 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -2.0450 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3427 2.3375 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2697 -1.9990 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5201 0.0647 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5187 0.0606 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7003 1.1541 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9851 -0.0040 2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9840 -0.0078 -2.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2242 -0.0403 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7054 -1.7954 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 2.1682 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0600 2.1685 0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3921 2.1296 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0232 0.6265 0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0251 0.6262 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 19 2 0 0 0 0 3 7 1 0 0 0 0 3 17 1 0 0 0 0 3 29 1 0 0 0 0 4 22 3 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 11 2 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$