L96UEL -OEChem-05022323013D 43 45 0 0 0 0 0 0 0999 V2000 -7.1123 0.3931 -0.3031 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3829 0.0322 0.9920 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 2.5787 -1.2162 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6373 1.7282 -0.0539 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3286 -0.2389 -1.5971 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 -2.7466 -0.1043 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2414 0.4328 0.8288 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 -1.3292 -0.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6743 -0.6577 0.9212 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -2.9248 -1.4659 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6587 0.4230 0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3981 0.4040 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1942 -0.5242 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4931 1.3604 1.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9965 -1.2635 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5639 -0.5337 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8627 1.3512 0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1917 -0.3225 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4651 -0.5413 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -1.5676 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -1.8674 -0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5659 0.5395 -0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3293 -0.6381 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5307 1.5237 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2942 0.3460 1.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3948 1.4271 0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7144 2.6154 -2.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 -1.2742 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0892 2.1029 1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0106 1.1803 1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9609 -1.2839 -1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4945 2.0865 1.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8755 0.5626 -1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2596 -1.4745 2.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 0.2711 2.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1482 2.1908 0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2134 -0.2458 1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0008 -1.5894 0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0286 -3.3526 -1.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3429 -3.3468 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9335 3.5220 -2.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8617 1.7666 -2.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 2.6983 -1.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 6 20 2 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 30 1 0 0 0 0 8 18 2 0 0 0 0 8 21 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 21 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 14 17 2 0 0 0 0 14 29 1 0 0 0 0 15 20 1 0 0 0 0 15 21 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 23 25 2 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$