L5J2LS -OEChem-05022322293D 28 30 0 0 0 0 0 0 0999 V2000 -2.4902 3.1449 -0.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8923 0.8746 0.0069 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0451 -2.4793 0.0144 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0286 -1.5546 0.0227 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9659 -0.5983 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0556 0.4978 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3571 -0.4006 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -1.9543 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4172 0.3742 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5766 1.7459 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0661 1.9901 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4161 -2.8108 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1185 0.2921 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1057 0.3396 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5086 0.1753 -1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 0.2229 1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 0.1407 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0487 2.6342 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9022 0.9720 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3112 -3.4562 0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0444 -2.6184 0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1529 -3.8739 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0095 -2.6292 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5961 0.3164 -2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5732 0.4012 2.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0548 0.1108 -2.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0316 0.1955 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 0.0496 0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$