@MOLECULE DB07267 39 42 1 SMALL USER_CHARGES @ATOM 1 N1 1.7952 0.9662 -0.4592 N.2 1 noname -0.2218 2 C1 1.3132 2.2187 -0.2302 C.2 1 noname 0.0762 3 C2 2.0760 0.0831 0.5256 C.2 1 noname 0.0482 4 N2 1.1093 2.5952 1.0578 N.2 1 noname -0.2328 5 C3 1.0306 3.0617 -1.3375 C.2 1 noname 0.0331 6 N3 2.0634 -1.2410 0.1705 N.3 1 noname 0.0081 7 C4 2.0914 0.5320 1.8645 C.2 1 noname -0.0139 8 C5 1.5431 1.8367 2.1046 C.2 1 noname 0.0521 9 N4 0.6790 4.3802 -1.1027 N.2 1 noname -0.2313 10 C6 1.1443 2.6085 -2.6949 C.2 1 noname -0.0050 11 C7 0.9885 -1.8746 -0.4123 C.2 1 noname -0.0113 12 C8 2.6110 -0.2545 2.9457 C.2 1 noname -0.0214 13 C9 1.4886 2.3754 3.4235 C.2 1 noname -0.0070 14 C10 0.4454 5.3298 -2.0746 C.2 1 noname 0.0072 15 C11 0.9113 3.5545 -3.7299 C.2 1 noname -0.0346 16 C12 1.1637 -3.2495 -0.7636 C.2 1 noname -0.0233 17 C13 -0.2562 -1.1864 -0.6471 C.2 1 noname -0.0233 18 C14 2.5770 0.3081 4.2555 C.2 1 noname -0.0510 19 C15 2.0334 1.6000 4.4884 C.2 1 noname -0.0357 20 C16 0.5675 4.9049 -3.4279 C.2 1 noname -0.0248 21 C17 0.0902 6.7040 -1.7327 C.3 1 noname 0.0321 22 C18 0.0912 -3.9195 -1.4095 C.2 1 noname -0.0039 23 C19 -1.2969 -1.8925 -1.2957 C.2 1 noname -0.0039 24 N5 -1.0690 -3.2057 -1.6434 N.2 1 noname -0.2785 25 H1 2.8969 -1.7827 0.3491 H 1 noname 0.1357 26 H2 1.4002 1.5761 -2.9329 H 1 noname 0.0646 27 H3 3.0199 -1.2508 2.7768 H 1 noname 0.0630 28 H4 1.0431 3.3521 3.6123 H 1 noname 0.0645 29 H5 0.9976 3.2399 -4.7699 H 1 noname 0.0624 30 H6 2.0933 -3.7747 -0.5443 H 1 noname 0.0655 31 H7 -0.4077 -0.1516 -0.3400 H 1 noname 0.0655 32 H8 2.9746 -0.2610 5.0959 H 1 noname 0.0622 33 H9 2.0342 2.0030 5.5011 H 1 noname 0.0623 34 H10 0.3971 5.6162 -4.2360 H 1 noname 0.0641 35 H11 0.0620 6.8130 -0.6485 H 1 noname 0.0295 36 H12 0.8334 7.3852 -2.1472 H 1 noname 0.0295 37 H13 -0.8900 6.9398 -2.1472 H 1 noname 0.0295 38 H14 0.1572 -4.9622 -1.7200 H 1 noname 0.0839 39 H15 -2.2583 -1.4324 -1.5239 H 1 noname 0.0839 @BOND 1 1 2 1 2 1 3 2 3 2 4 2 4 2 5 1 5 3 6 1 6 3 7 1 7 4 8 1 8 5 9 2 9 5 10 1 10 6 11 1 11 7 12 2 12 7 8 1 13 8 13 2 14 9 14 1 15 10 15 2 16 11 16 2 17 11 17 1 18 12 18 1 19 13 19 1 20 14 20 2 21 14 21 1 22 15 20 1 23 16 22 1 24 17 23 2 25 18 19 2 26 22 24 2 27 23 24 1 28 6 25 1 29 10 26 1 30 12 27 1 31 13 28 1 32 15 29 1 33 16 30 1 34 17 31 1 35 18 32 1 36 19 33 1 37 20 34 1 38 21 35 1 39 21 36 1 40 21 37 1 41 22 38 1 42 23 39 1 @SUBSTRUCTURE 1 noname 1