@MOLECULE DB03710 34 33 1 SMALL USER_CHARGES @ATOM 1 O1 3.8064 -3.6568 0.7652 O.2 1 noname -0.2331 2 C1 3.5801 -2.9278 -0.2247 C.2 1 noname 0.1658 3 O2 3.5875 -3.4554 -1.4673 O.3 1 noname -0.2012 4 C2 3.3076 -1.5058 -0.0369 C.3 1 noname 0.0855 5 N1 4.3133 -0.7188 -0.7487 N.4 1 noname -0.0002 6 C3 1.9186 -1.1757 -0.5869 C.3 1 noname 0.0095 7 C4 1.6331 0.3145 -0.3902 C.3 1 noname -0.0333 8 C5 0.2441 0.6446 -0.9402 C.3 1 noname 0.0014 9 N2 -0.0191 2.0179 -0.7589 N.3 1 noname -0.1347 10 C6 -1.2084 2.3006 -1.2298 C.2 1 noname -0.0814 11 N3 -1.6513 3.4946 -1.1680 N.2 1 noname -0.2816 12 C7 -2.0099 1.2700 -1.8131 C.3 1 noname -0.0009 13 C8 -3.3191 1.1386 -1.0324 C.3 1 noname -0.0496 14 C9 -4.1767 0.0359 -1.6565 C.3 1 noname -0.0650 15 H1 3.5871 -4.4135 -1.4082 H 1 noname 0.2215 16 H2 3.3890 -1.2821 1.0268 H 1 noname 0.1091 17 H3 4.9100 -0.2518 -0.0809 H 1 noname 0.2560 18 H4 4.8706 -1.3299 -1.3285 H 1 noname 0.2560 19 H5 3.8541 -0.0310 -1.3285 H 1 noname 0.2560 20 H6 1.9565 -1.3495 -1.6623 H 1 noname 0.0342 21 H7 1.1998 -1.7176 0.0277 H 1 noname 0.0342 22 H8 1.5952 0.4883 0.6852 H 1 noname 0.0282 23 H9 2.3518 0.8564 -1.0048 H 1 noname 0.0282 24 H10 0.2615 0.4943 -2.0196 H 1 noname 0.0432 25 H11 -0.4952 0.1262 -0.3296 H 1 noname 0.0432 26 H12 0.5758 2.7185 -0.3400 H 1 noname 0.1292 27 H13 -1.7522 3.7666 -0.2006 H 1 noname 0.1884 28 H14 -2.2514 1.6193 -2.8170 H 1 noname 0.0342 29 H15 -1.4449 0.3476 -1.6783 H 1 noname 0.0342 30 H16 -3.0552 0.8024 -0.0297 H 1 noname 0.0268 31 H17 -3.8617 2.0741 -1.1683 H 1 noname 0.0268 32 H18 -4.6377 -0.5569 -0.8665 H 1 noname 0.0230 33 H19 -4.9542 0.4859 -2.2739 H 1 noname 0.0230 34 H20 -3.5491 -0.6068 -2.2739 H 1 noname 0.0230 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 4 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 2 11 10 12 1 12 12 13 1 13 13 14 1 14 3 15 1 15 4 16 1 16 5 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 11 27 1 27 12 28 1 28 12 29 1 29 13 30 1 30 13 31 1 31 14 32 1 32 14 33 1 33 14 34 1 @SUBSTRUCTURE 1 noname 1