@MOLECULE 125282 48 51 1 SMALL USER_CHARGES @ATOM 1 O1 -1.3827 2.4143 -1.7053 O.3 1 noname -0.2487 2 C1 -1.2586 1.4979 -0.7217 C.2 1 noname 0.0324 3 C2 -0.8234 1.8999 -2.9048 C.3 1 noname 0.0440 4 N1 -0.1270 1.4967 0.0775 N.2 1 noname -0.2277 5 C3 -2.2817 0.5497 -0.5162 C.2 1 noname 0.0027 6 C4 0.1021 0.5829 1.0915 C.2 1 noname 0.0075 7 C5 -2.0637 -0.3869 0.5229 C.2 1 noname -0.0267 8 C6 -0.8721 -0.4201 1.3260 C.2 1 noname -0.0102 9 N2 -0.6551 -1.3941 2.2789 N.3 1 noname 0.0059 10 C7 -1.5385 -2.4075 2.5327 C.2 1 noname 0.0194 11 N3 -1.8429 -3.2281 1.4652 N.2 1 noname -0.2526 12 C8 -2.3211 -2.4546 3.7340 C.2 1 noname 0.0000 13 C9 -2.9369 -4.0487 1.4485 C.2 1 noname -0.0043 14 C10 -2.0673 -1.5600 4.8164 C.2 1 noname 0.0643 15 C11 -3.4418 -3.3465 3.7130 C.2 1 noname -0.0206 16 C12 -3.7853 -4.1075 2.5733 C.2 1 noname -0.0192 17 N4 -0.7961 -1.0954 5.0483 N.2 1 noname -0.2499 18 C13 -3.0839 -1.1140 5.7079 C.2 1 noname 0.0375 19 N5 -4.8897 -4.8661 2.5615 N.3 1 noname -0.1405 20 C14 -0.4229 -0.2957 6.0985 C.2 1 noname 0.0551 21 N6 -4.4026 -1.3300 5.7623 N.2 1 noname -0.2203 22 C15 -2.6901 -0.3299 6.7839 C.2 1 noname 0.1149 23 C16 -5.9769 -4.1062 2.0832 C.3 1 noname -0.0028 24 N7 -1.4018 0.0653 6.9768 N.2 1 noname -0.2290 25 C17 0.9576 0.1481 6.2682 C.3 1 noname 0.0663 26 C18 -4.8255 -0.7101 6.8822 C.2 1 noname -0.0476 27 N8 -3.7975 -0.1040 7.5111 N.3 1 noname 0.0020 28 C19 -7.2379 -4.9725 2.0698 C.3 1 noname -0.0523 29 H1 -0.8376 0.8104 -2.8744 H 1 noname 0.0535 30 H2 -1.4083 2.2472 -3.7565 H 1 noname 0.0535 31 H3 0.2050 2.2472 -3.0044 H 1 noname 0.0535 32 H4 -3.1865 0.5412 -1.1239 H 1 noname 0.0667 33 H5 1.0152 0.6505 1.6830 H 1 noname 0.0857 34 H6 -2.8504 -1.1168 0.7134 H 1 noname 0.0641 35 H7 0.1970 -1.3636 2.8202 H 1 noname 0.1358 36 H8 -3.1290 -4.6443 0.5561 H 1 noname 0.0856 37 H9 -4.0608 -3.4508 4.6041 H 1 noname 0.0648 38 H10 -4.9007 -5.8316 2.8581 H 1 noname 0.1281 39 H11 -6.1181 -3.3118 2.8161 H 1 noname 0.0429 40 H12 -5.7241 -3.8581 1.0524 H 1 noname 0.0429 41 H13 1.1875 0.2220 7.3311 H 1 noname 0.0312 42 H14 1.6304 -0.5704 5.8000 H 1 noname 0.0312 43 H15 1.0856 1.1241 5.8000 H 1 noname 0.0312 44 H16 -5.8580 -0.7002 7.2315 H 1 noname 0.1013 45 H17 -3.8478 0.4235 8.3710 H 1 noname 0.1552 46 H18 -7.5449 -5.1833 3.0942 H 1 noname 0.0243 47 H19 -8.0376 -4.4421 1.5528 H 1 noname 0.0243 48 H20 -7.0297 -5.9092 1.5528 H 1 noname 0.0243 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 4 6 1 6 5 7 2 7 6 8 2 8 7 8 1 9 8 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 11 13 1 14 12 14 1 15 12 15 2 16 13 16 2 17 14 17 2 18 14 18 1 19 15 16 1 20 16 19 1 21 17 20 1 22 18 21 1 23 18 22 2 24 19 23 1 25 20 24 2 26 20 25 1 27 21 26 2 28 22 27 1 29 22 24 1 30 23 28 1 31 26 27 1 32 3 29 1 33 3 30 1 34 3 31 1 35 5 32 1 36 6 33 1 37 7 34 1 38 9 35 1 39 13 36 1 40 15 37 1 41 19 38 1 42 23 39 1 43 23 40 1 44 25 41 1 45 25 42 1 46 25 43 1 47 26 44 1 48 27 45 1 49 28 46 1 50 28 47 1 51 28 48 1 @SUBSTRUCTURE 1 noname 1