@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3787 28 30 1 SMALL USER_CHARGES @ATOM 1 N1 0.0000 -1.0488 0.5243 N.2 1 noname -0.2315 2 C1 -1.0510 -0.2247 0.6273 C.2 1 noname 0.0092 3 C2 1.0270 -0.2737 0.1243 C.2 1 noname -0.0404 4 C3 -0.6551 1.0653 0.2863 C.2 1 noname -0.0540 5 C4 -2.3742 -0.5036 1.0044 C.2 1 noname -0.0109 6 N2 0.6499 1.0134 -0.0286 N.3 1 noname -0.0317 7 C5 -1.5712 2.1324 0.3064 C.2 1 noname -0.0326 8 C6 -3.3023 0.5574 1.0314 C.2 1 noname -0.0440 9 C7 1.4989 2.0904 -0.4295 C.3 1 noname -0.0146 10 C8 -2.9033 1.8665 0.6845 C.2 1 noname -0.0473 11 C9 1.9459 1.9475 -1.8306 C.2 1 noname -0.0487 12 C10 1.0018 1.9745 -2.8776 C.2 1 noname -0.0587 13 C11 3.3120 1.7865 -2.1405 C.2 1 noname -0.0587 14 C12 1.4158 1.8355 -4.2137 C.2 1 noname -0.0608 15 C13 3.7269 1.6475 -3.4766 C.2 1 noname -0.0608 16 C14 2.7788 1.6715 -4.5126 C.2 1 noname -0.0678 17 H1 1.9730 -0.6207 -0.0406 H 1 noname 0.1015 18 H2 -2.6563 -1.4516 1.2544 H 1 noname 0.0645 19 H3 -1.2832 3.0765 0.0534 H 1 noname 0.0643 20 H4 -4.2683 0.3774 1.3035 H 1 noname 0.0623 21 H5 2.3569 2.1215 0.2454 H 1 noname 0.0523 22 H6 0.9779 3.0455 -0.3365 H 1 noname 0.0523 23 H7 -3.5843 2.6256 0.7065 H 1 noname 0.0623 24 H8 0.0097 2.0935 -2.6675 H 1 noname 0.0626 25 H9 4.0079 1.7665 -1.3935 H 1 noname 0.0626 26 H10 0.7257 1.8536 -4.9657 H 1 noname 0.0622 27 H11 4.7169 1.5286 -3.6935 H 1 noname 0.0622 28 H12 3.0788 1.5706 -5.4826 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 2 3 2 4 2 4 2 5 1 5 3 6 1 6 3 17 1 7 4 7 1 8 4 6 1 9 5 8 2 10 5 18 1 11 6 9 1 12 7 10 2 13 7 19 1 14 8 10 1 15 8 20 1 16 9 11 1 17 9 21 1 18 9 22 1 19 10 23 1 20 11 12 2 21 11 13 1 22 12 14 1 23 12 24 1 24 13 15 2 25 13 25 1 26 14 16 2 27 14 26 1 28 15 16 1 29 15 27 1 30 16 28 1 @SUBSTRUCTURE 1 noname 1