@MOLECULE DB02538 33 35 1 SMALL USER_CHARGES @ATOM 1 O1 7.8722 -2.7361 -0.0006 O.2 1 noname -0.2746 2 C1 6.6371 -2.9255 0.0358 C.2 1 noname 0.1399 3 N1 5.7981 -1.8809 0.0116 N.3 1 noname -0.0865 4 C2 6.1088 -4.2848 0.1048 C.3 1 noname 0.0099 5 C3 4.4742 -2.0840 0.0506 C.2 1 noname 0.1012 6 N2 3.5682 -1.0458 0.0282 N.2 1 noname -0.1898 7 N3 3.9246 -3.3429 0.1159 N.2 1 noname -0.2073 8 C4 2.1891 -1.1973 0.0659 C.2 1 noname 0.0474 9 C5 2.5752 -3.6006 0.1606 C.2 1 noname 0.0255 10 C6 1.2958 -0.0536 0.0259 C.2 1 noname -0.0914 11 C7 1.6621 -2.5271 0.1401 C.2 1 noname 0.0109 12 N4 -0.0682 0.0056 0.0116 N.3 1 noname -0.1046 13 C8 1.7147 1.2905 0.0095 C.2 1 noname 0.0341 14 C9 -0.4364 1.3382 0.0028 C.2 1 noname 0.0112 15 C10 -1.0186 -1.0126 0.0086 C.2 1 noname -0.0792 16 N5 0.6527 2.1229 -0.0003 N.2 1 noname -0.2200 17 C11 3.1087 1.7247 0.0039 C.3 1 noname 0.0443 18 C12 -1.8167 1.7574 -0.0005 C.2 1 noname 0.0058 19 C13 -2.4030 -0.6748 0.0118 C.2 1 noname -0.0426 20 C14 -2.7688 0.6972 0.0092 C.2 1 noname -0.0036 21 H1 6.1636 -0.9406 -0.0362 H 1 noname 0.1402 22 H2 5.9949 -4.5778 1.1485 H 1 noname 0.0324 23 H3 5.1390 -4.3232 -0.3913 H 1 noname 0.0324 24 H4 6.7980 -4.9681 -0.3913 H 1 noname 0.0324 25 H5 2.2361 -4.6353 0.2113 H 1 noname 0.0841 26 H6 0.5897 -2.7181 0.1800 H 1 noname 0.0662 27 H7 -0.6865 -2.0508 0.0038 H 1 noname 0.0796 28 H8 3.4593 1.8339 1.0302 H 1 noname 0.0296 29 H9 3.7183 0.9824 -0.5113 H 1 noname 0.0296 30 H10 3.1890 2.6819 -0.5113 H 1 noname 0.0296 31 H11 -2.1198 2.8043 -0.0097 H 1 noname 0.0659 32 H12 -3.1678 -1.4515 0.0161 H 1 noname 0.0636 33 H13 -3.8295 0.9483 0.0150 H 1 noname 0.0624 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 1 13 10 13 2 14 12 14 1 15 12 15 1 16 13 16 1 17 13 17 1 18 14 18 1 19 14 16 2 20 15 19 2 21 18 20 2 22 19 20 1 23 3 21 1 24 4 22 1 25 4 23 1 26 4 24 1 27 9 25 1 28 11 26 1 29 15 27 1 30 17 28 1 31 17 29 1 32 17 30 1 33 18 31 1 34 19 32 1 35 20 33 1 @SUBSTRUCTURE 1 noname 1