@MOLECULE DB07476 32 33 1 SMALL USER_CHARGES @ATOM 1 S1 1.3873 -2.2017 -0.3174 S 1 noname -0.1231 2 O1 1.4183 -2.7891 -1.7946 O.2 1 noname -0.1998 3 O2 0.0217 -2.6106 0.3870 O.2 1 noname -0.1998 4 N1 2.7180 -2.8429 0.5870 N.3 1 noname -0.0108 5 C1 1.5101 -0.4772 -0.3798 C.2 1 noname 0.0179 6 C2 2.0111 0.2239 0.7109 C.2 1 noname 0.0199 7 C3 1.1078 0.2074 -1.5207 C.2 1 noname 0.0199 8 C4 2.1098 1.6095 0.6607 C.2 1 noname -0.0115 9 C5 1.2065 1.5930 -1.5709 C.2 1 noname -0.0115 10 C6 1.7075 2.2940 -0.4802 C.2 1 noname 0.0070 11 N2 1.8027 3.6297 -0.5286 N.3 1 noname -0.1349 12 C7 1.6910 4.3505 0.5955 C.2 1 noname 0.0899 13 O3 1.4982 3.7769 1.6892 O.2 1 noname -0.2763 14 C8 1.7897 5.7361 0.5453 C.2 1 noname 0.0051 15 C9 1.6740 6.4838 1.7113 C.2 1 noname 0.0150 16 C10 2.0042 6.3740 -0.6709 C.2 1 noname -0.0084 17 S2 1.4070 5.6899 3.2250 S.3 1 noname -0.1191 18 C11 1.7727 7.8694 1.6611 C.2 1 noname -0.0289 19 C12 2.1029 7.7596 -0.7211 C.2 1 noname -0.0487 20 C13 1.9872 8.5073 0.4449 C.2 1 noname -0.0346 21 H1 2.7263 -3.8178 0.8507 H 1 noname 0.1404 22 H2 3.4856 -2.2419 0.8507 H 1 noname 0.1404 23 H3 2.3266 -0.3129 1.6055 H 1 noname 0.0639 24 H4 0.7149 -0.3424 -2.3760 H 1 noname 0.0639 25 H5 2.5027 2.1592 1.5160 H 1 noname 0.0639 26 H6 0.8911 2.1298 -2.4656 H 1 noname 0.0639 27 H7 1.9585 4.0932 -1.4123 H 1 noname 0.1374 28 H8 2.0950 5.7877 -1.5853 H 1 noname 0.0631 29 H9 1.4383 4.3823 3.0476 H 1 noname 0.1078 30 H10 1.6819 8.4557 2.5755 H 1 noname 0.0634 31 H11 2.2711 8.2598 -1.6748 H 1 noname 0.0622 32 H12 2.0646 9.5938 0.4056 H 1 noname 0.0623 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 2 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 2 14 12 14 1 15 14 15 2 16 14 16 1 17 15 17 1 18 15 18 1 19 16 19 2 20 18 20 2 21 19 20 1 22 4 21 1 23 4 22 1 24 6 23 1 25 7 24 1 26 8 25 1 27 9 26 1 28 11 27 1 29 16 28 1 30 17 29 1 31 18 30 1 32 19 31 1 33 20 32 1 @SUBSTRUCTURE 1 noname 1