@MOLECULE 128533 30 33 1 SMALL USER_CHARGES @ATOM 1 S1 1.8235 -0.0381 0.0561 S.3 1 noname -0.1959 2 C1 2.0971 1.6757 -0.2932 C.2 1 noname 0.0977 3 C2 0.0978 0.0761 0.3480 C.2 1 noname 0.0137 4 N1 0.8630 2.2228 -0.1786 N.2 1 noname -0.2271 5 N2 3.2501 2.2864 -0.5984 N.3 1 noname -0.0901 6 C3 -0.2023 1.4451 0.1458 C.2 1 noname 0.0239 7 C4 -0.8703 -0.8701 0.7033 C.2 1 noname -0.0049 8 C5 -1.5047 1.9758 0.2692 C.2 1 noname -0.0056 9 C6 -2.2215 -0.3881 0.8512 C.2 1 noname -0.0260 10 C7 -2.4891 1.0278 0.6221 C.2 1 noname -0.0296 11 C8 -3.2979 -1.2944 1.2190 C.2 1 noname -0.0205 12 C9 -4.6431 -0.8022 1.3603 C.2 1 noname 0.0110 13 C10 -3.0479 -2.7018 1.4501 C.2 1 noname -0.0263 14 C11 -5.6403 -1.7212 1.7161 C.2 1 noname 0.0438 15 C12 -4.0324 -3.6431 1.8080 C.2 1 noname 0.0022 16 N3 -6.9480 -1.5077 1.9053 N.2 1 noname -0.2007 17 C13 -5.3193 -3.0693 1.9231 C.2 1 noname 0.0274 18 C14 -7.4477 -2.7218 2.2310 C.2 1 noname 0.1318 19 O1 -6.4709 -3.6716 2.2443 O.3 1 noname -0.3546 20 N4 -8.7376 -2.9597 2.5054 N.3 1 noname -0.0643 21 H1 4.0941 1.7435 -0.7134 H 1 noname 0.1266 22 H2 3.2753 3.2895 -0.7134 H 1 noname 0.1266 23 H3 -0.5906 -1.9126 0.8548 H 1 noname 0.0644 24 H4 -1.7313 3.0294 0.1057 H 1 noname 0.0646 25 H5 -3.5057 1.4078 0.7226 H 1 noname 0.0629 26 H6 -4.9012 0.2448 1.2011 H 1 noname 0.0652 27 H7 -2.0328 -3.0850 1.3459 H 1 noname 0.0630 28 H8 -3.8216 -4.6991 1.9773 H 1 noname 0.0651 29 H9 -9.3824 -2.1892 2.6087 H 1 noname 0.1278 30 H10 -9.0650 -3.9096 2.6087 H 1 noname 0.1278 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 6 1 8 6 8 1 9 7 9 2 10 8 10 2 11 9 11 1 12 9 10 1 13 11 12 2 14 11 13 1 15 12 14 1 16 13 15 2 17 14 16 1 18 14 17 2 19 15 17 1 20 16 18 2 21 17 19 1 22 18 20 1 23 18 19 1 24 5 21 1 25 5 22 1 26 7 23 1 27 8 24 1 28 10 25 1 29 12 26 1 30 13 27 1 31 15 28 1 32 20 29 1 33 20 30 1 @SUBSTRUCTURE 1 noname 1