L1HVN7 -OEChem-05032300493D 82 85 0 0 0 0 0 0 0999 V2000 -2.7324 0.0291 3.1204 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2158 -0.5980 0.0458 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 5.2759 -2.8215 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 1.3149 0.0513 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3536 -0.8390 4.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6501 1.1276 3.3534 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3719 -2.7823 -2.2613 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3103 -4.4908 0.7729 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0903 -3.4213 -1.0753 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7844 4.2056 -0.7143 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8899 3.2011 -2.5414 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3064 0.6045 2.3466 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6482 2.0948 2.7999 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1829 3.0059 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6327 2.3879 -1.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4226 1.2199 1.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 2.4425 0.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6144 4.3532 -2.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9686 1.1808 -1.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 0.5959 -0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4596 5.1211 0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 2.9159 -3.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4351 -1.0059 1.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1610 1.8719 1.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1124 -0.6435 -0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6282 1.5346 1.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 0.9584 0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2145 2.4271 2.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 0.3707 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3254 0.3254 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -1.7029 -1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0957 -2.3574 1.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9175 -1.7481 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3283 -0.4692 0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 -0.7341 -1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6496 -3.1724 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8822 -1.2842 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5428 -2.6358 -0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7379 -3.1595 -2.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8786 -4.6437 -2.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3089 -5.1220 -2.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3909 -4.9598 1.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9941 -2.7947 -1.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 2.9419 1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5541 0.7043 -2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7554 5.4791 0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8414 5.9747 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2964 4.6076 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9378 1.9727 -4.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8135 3.7158 -4.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3954 2.8381 -3.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4721 0.0133 2.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0607 2.9164 0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 1.7880 2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1967 1.6539 0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7197 0.4829 1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 -0.0768 0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0756 1.0768 -0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1670 3.4859 2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7275 2.2717 3.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 1.1964 0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8966 -2.4929 -1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3892 -2.7246 2.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6085 0.5798 0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8174 -0.7369 -1.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7779 1.1139 3.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0753 2.6814 3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1841 2.2439 1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5679 -0.7991 -0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0794 -2.9907 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3571 -2.5756 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5394 -4.8451 -3.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 -5.2174 -1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9859 -4.5857 -2.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -6.1903 -2.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6528 -4.9689 -1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2372 -6.0279 1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 -4.4773 1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8013 -4.8710 2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3322 -3.5651 -2.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4970 -2.0204 -2.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8858 -2.4186 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 12 1 0 0 0 0 1 23 1 0 0 0 0 2 20 1 0 0 0 0 2 25 1 0 0 0 0 3 18 2 0 0 0 0 4 27 1 0 0 0 0 4 30 1 0 0 0 0 7 33 1 0 0 0 0 7 39 1 0 0 0 0 8 36 1 0 0 0 0 8 42 1 0 0 0 0 9 38 1 0 0 0 0 9 43 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 21 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 11 22 1 0 0 0 0 12 16 1 0 0 0 0 12 52 1 0 0 0 0 13 28 1 0 0 0 0 13 66 1 0 0 0 0 13 67 1 0 0 0 0 13 68 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 32 2 0 0 0 0 23 34 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 29 1 0 0 0 0 25 31 2 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 30 35 1 0 0 0 0 31 33 1 0 0 0 0 31 62 1 0 0 0 0 32 36 1 0 0 0 0 32 63 1 0 0 0 0 33 35 2 0 0 0 0 34 37 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 37 69 1 0 0 0 0 39 40 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 40 41 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 M CHG 1 13 1 M END $$$$