@MOLECULE 33 36 1 SMALL USER_CHARGES @ATOM 1 C1 -2.0708 4.4184 -0.9400 C.3 1 noname 0.0492 2 C2 -2.5177 3.0511 -0.6297 C.2 1 noname 0.0136 3 C3 -3.8519 2.6779 -0.4222 C.2 1 noname -0.0730 4 C4 -5.0005 3.5077 -0.5460 C.2 1 noname -0.0105 5 C5 -6.1364 3.1906 0.2411 C.2 1 noname -0.0387 6 C6 -7.3085 3.9601 0.1690 C.2 1 noname -0.0573 7 C7 -7.3741 5.0530 -0.7067 C.2 1 noname -0.0553 8 C8 -6.2651 5.3796 -1.5029 C.2 1 noname -0.0316 9 C9 -5.0697 4.6280 -1.4310 C.2 1 noname -0.0074 10 N1 -4.0824 5.0406 -2.2871 N.3 1 noname -0.1348 11 C10 -2.7346 4.9231 -2.1534 C.2 1 noname 0.1315 12 O1 -2.0316 5.3144 -3.1128 O.2 1 noname -0.2745 13 N2 -3.8639 1.3839 -0.0392 N.3 1 noname -0.0530 14 C11 -2.6124 0.9105 -0.0022 C.2 1 noname -0.0558 15 C12 -1.7397 1.9160 -0.3996 C.2 1 noname 0.0073 16 C13 -0.3531 1.6826 -0.4601 C.2 1 noname 0.0448 17 C14 0.1696 0.4120 -0.0825 C.2 1 noname 0.0433 18 C15 -0.7534 -0.5813 0.3581 C.2 1 noname 0.0331 19 C16 -2.1422 -0.3478 0.3897 C.2 1 noname -0.0102 20 N3 1.4902 0.1508 -0.1297 N.2 1 noname 0.1636 21 O2 2.2764 0.9192 -0.5269 O.2 1 noname -0.2537 22 O3 1.9849 -0.9552 0.2600 O.3 1 noname -0.2537 23 H1 -2.4089 5.0485 -0.1174 H 1 noname 0.0412 24 H2 -1.0083 4.3510 -1.1738 H 1 noname 0.0412 25 H3 -6.1078 2.3359 0.9170 H 1 noname 0.0630 26 H4 -8.1667 3.7092 0.7924 H 1 noname 0.0622 27 H5 -8.2855 5.6476 -0.7685 H 1 noname 0.0623 28 H6 -6.3331 6.2269 -2.1852 H 1 noname 0.0639 29 H7 -4.3912 5.4945 -3.1348 H 1 noname 0.1371 30 H8 -4.6895 0.8478 0.1868 H 1 noname 0.1528 31 H9 0.3104 2.4792 -0.7967 H 1 noname 0.0680 32 H10 -0.3840 -1.5542 0.6823 H 1 noname 0.0673 33 H11 -2.8376 -1.1235 0.7103 H 1 noname 0.0644 @BOND 1 1 2 1 2 2 3 2 3 3 4 1 4 4 5 2 5 5 6 1 6 6 7 2 7 7 8 1 8 8 9 2 9 4 9 1 10 9 10 1 11 10 11 1 12 1 11 1 13 11 12 2 14 3 13 1 15 13 14 1 16 14 15 2 17 2 15 1 18 15 16 1 19 16 17 2 20 17 18 1 21 18 19 2 22 14 19 1 23 17 20 1 24 20 21 2 25 20 22 1 26 1 23 1 27 1 24 1 28 5 25 1 29 6 26 1 30 7 27 1 31 8 28 1 32 10 29 1 33 13 30 1 34 16 31 1 35 18 32 1 36 19 33 1 @SUBSTRUCTURE 1 noname 1