@MOLECULE DB02986 29 30 1 SMALL USER_CHARGES @ATOM 1 S1 -1.6366 -1.8429 0.0199 S 1 noname -0.0895 2 O1 -1.2878 -1.7911 1.5910 O.2 1 noname -0.1924 3 O2 -2.8981 -2.8092 -0.1792 O.2 1 noname -0.1924 4 N1 -1.9889 -0.1777 -0.4447 N.3 1 noname 0.0073 5 C1 -0.2487 -2.4411 -0.8899 C.2 1 noname 0.1174 6 C2 -2.9809 -0.2020 -1.5259 C.3 1 noname 0.0479 7 S2 -0.1009 -2.6654 -2.6287 S.3 1 noname -0.0822 8 C3 0.9891 -2.8657 -0.4008 C.2 1 noname 0.0663 9 C4 -3.0634 1.0040 -2.3475 C.2 1 noname 0.0210 10 C5 1.5362 -3.3130 -2.7127 C.2 1 noname 0.1177 11 C6 1.9154 -3.3200 -1.3623 C.2 1 noname 0.0659 12 S3 -4.2712 1.3452 -3.5718 S.3 1 noname -0.2206 13 C7 -2.2031 2.0993 -2.4556 C.2 1 noname -0.0199 14 S4 2.4409 -3.8109 -4.1007 S 1 noname -0.0941 15 C8 -3.6167 2.8148 -4.2883 C.2 1 noname 0.0109 16 C9 -2.4968 3.0427 -3.4701 C.2 1 noname -0.0261 17 O3 1.4403 -4.2394 -5.2598 O.2 1 noname -0.1937 18 O4 3.3657 -5.0456 -3.7157 O.2 1 noname -0.1937 19 N2 3.4291 -2.4977 -4.6474 N.3 1 noname -0.0056 20 H1 -1.6505 0.7163 -0.1184 H 1 noname 0.1447 21 H2 -2.6519 -0.9895 -2.2039 H 1 noname 0.0501 22 H3 -3.9486 -0.2787 -1.0303 H 1 noname 0.0501 23 H4 1.2180 -2.8438 0.6647 H 1 noname 0.0648 24 H5 2.9048 -3.6696 -1.0675 H 1 noname 0.0648 25 H6 -1.3505 2.2116 -1.7860 H 1 noname 0.0634 26 H7 -3.8669 3.4821 -5.1130 H 1 noname 0.0739 27 H8 -1.8743 3.9251 -3.6180 H 1 noname 0.0631 28 H9 4.4161 -2.6407 -4.8067 H 1 noname 0.1404 29 H10 3.0183 -1.5889 -4.8067 H 1 noname 0.1404 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 5 1 5 4 6 1 6 5 7 1 7 5 8 2 8 6 9 1 9 7 10 1 10 8 11 1 11 9 12 1 12 9 13 2 13 10 14 1 14 10 11 2 15 12 15 1 16 13 16 1 17 14 17 2 18 14 18 2 19 14 19 1 20 15 16 2 21 4 20 1 22 6 21 1 23 6 22 1 24 8 23 1 25 11 24 1 26 13 25 1 27 15 26 1 28 16 27 1 29 19 28 1 30 19 29 1 @SUBSTRUCTURE 1 noname 1