@MOLECULE DB01884 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 1.5837 1.4229 -2.5064 O.2 1 noname -0.2893 2 C1 0.7826 1.6963 -1.5866 C.2 1 noname 0.0506 3 N1 0.7534 0.9442 -0.4779 N.3 1 noname -0.0646 4 C2 -0.1212 2.8351 -1.7202 C.3 1 noname 0.0814 5 C3 -0.0962 1.0901 0.7012 C.3 1 noname 0.0059 6 C4 1.5630 -0.2250 -0.1477 C.3 1 noname 0.0059 7 N2 -0.9780 2.6428 -2.8892 N.3 1 noname -0.3201 8 C5 -0.9887 2.9477 -0.4650 C.3 1 noname -0.0233 9 C6 -0.5412 -0.3349 1.0246 C.3 1 noname -0.0387 10 C7 0.6650 -1.1821 0.6429 C.3 1 noname -0.0387 11 C8 -1.9359 4.1411 -0.6050 C.3 1 noname -0.0608 12 C9 -0.0921 3.1489 0.7583 C.3 1 noname -0.0608 13 H1 0.4809 3.7293 -1.8816 H 1 noname 0.0562 14 H2 0.5378 1.4477 1.5124 H 1 noname 0.0435 15 H3 -0.9707 1.6660 0.3984 H 1 noname 0.0435 16 H4 1.8170 -0.7032 -1.0937 H 1 noname 0.0435 17 H5 2.3539 0.1233 0.5165 H 1 noname 0.0435 18 H6 -1.9794 2.5763 -2.7758 H 1 noname 0.1191 19 H7 -0.5684 2.5763 -3.8100 H 1 noname 0.1191 20 H8 -1.5708 2.0343 -0.3425 H 1 noname 0.0318 21 H9 -0.6768 -0.4098 2.1036 H 1 noname 0.0280 22 H10 -1.3599 -0.5938 0.3532 H 1 noname 0.0280 23 H11 0.3225 -1.9614 -0.0378 H 1 noname 0.0280 24 H12 1.1868 -1.4513 1.5613 H 1 noname 0.0280 25 H13 -2.2193 4.4981 0.3851 H 1 noname 0.0234 26 H14 -1.4345 4.9409 -1.1499 H 1 noname 0.0234 27 H15 -2.8287 3.8344 -1.1499 H 1 noname 0.0234 28 H16 0.2007 2.1780 1.1578 H 1 noname 0.0234 29 H17 0.7986 3.7061 0.4682 H 1 noname 0.0234 30 H18 -0.6370 3.7061 1.5204 H 1 noname 0.0234 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 5 9 1 9 6 10 1 10 8 11 1 11 8 12 1 12 9 10 1 13 4 13 1 14 5 14 1 15 5 15 1 16 6 16 1 17 6 17 1 18 7 18 1 19 7 19 1 20 8 20 1 21 9 21 1 22 9 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 12 30 1 @SUBSTRUCTURE 1 noname 1