@MOLECULE DB03566 29 28 1 SMALL USER_CHARGES @ATOM 1 N1 1.4620 0.0000 0.0000 N.3 1 noname -0.3166 2 C1 1.9493 -1.3784 0.0000 C.3 1 noname -0.0036 3 C2 0.0000 0.0000 0.0000 C.3 1 noname -0.0048 4 C3 3.4793 -1.3784 0.0000 C.3 1 noname -0.0283 5 C4 -0.5100 1.4425 0.0000 C.3 1 noname -0.0395 6 C5 3.9893 -2.8209 0.0000 C.3 1 noname -0.0064 7 C6 -2.0400 1.4425 0.0000 C.3 1 noname -0.0397 8 N2 5.4513 -2.8209 0.0000 N.3 1 noname -0.3304 9 C7 -2.5500 2.8850 0.0000 C.3 1 noname -0.0076 10 N3 -4.0120 2.8850 0.0000 N.3 1 noname -0.3304 11 H1 2.0451 0.8247 0.0000 H 1 noname 0.1222 12 H2 1.6205 -1.8130 0.9440 H 1 noname 0.0428 13 H3 1.6205 -1.8130 -0.9440 H 1 noname 0.0428 14 H4 -0.3002 -0.4549 -0.9440 H 1 noname 0.0427 15 H5 -0.3002 -0.4549 0.9440 H 1 noname 0.0427 16 H6 3.7940 -0.9334 -0.9440 H 1 noname 0.0292 17 H7 3.7940 -0.9334 0.9440 H 1 noname 0.0292 18 H8 -0.1953 1.8875 0.9440 H 1 noname 0.0280 19 H9 -0.1953 1.8875 -0.9440 H 1 noname 0.0280 20 H10 3.6891 -3.2758 0.9440 H 1 noname 0.0426 21 H11 3.6891 -3.2758 -0.9440 H 1 noname 0.0426 22 H12 -2.3547 0.9975 -0.9440 H 1 noname 0.0280 23 H13 -2.3547 0.9975 0.9440 H 1 noname 0.0280 24 H14 5.9563 -3.6956 0.0000 H 1 noname 0.1184 25 H15 5.9563 -1.9462 0.0000 H 1 noname 0.1184 26 H16 -2.2498 3.3399 0.9440 H 1 noname 0.0425 27 H17 -2.2498 3.3399 -0.9440 H 1 noname 0.0425 28 H18 -4.5170 3.7597 0.0000 H 1 noname 0.1184 29 H19 -4.5170 2.0103 0.0000 H 1 noname 0.1184 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 1 7 6 8 1 8 7 9 1 9 9 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 3 14 1 14 3 15 1 15 4 16 1 16 4 17 1 17 5 18 1 18 5 19 1 19 6 20 1 20 6 21 1 21 7 22 1 22 7 23 1 23 8 24 1 24 8 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 @SUBSTRUCTURE 1 noname 1