@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443653 41 44 1 SMALL USER_CHARGES @ATOM 1 O1 32.3898 -19.3285 0.6110 O.3 1 noname -0.3194 2 C1 33.7137 -19.0795 0.5630 C.2 1 noname 0.1565 3 C2 31.8188 -18.1075 0.6630 C.2 1 noname 0.1132 4 N1 33.9277 -17.7565 0.5841 N.2 1 noname -0.1355 5 N2 34.6956 -20.0044 0.4921 N.3 1 noname -0.0391 6 N3 32.7777 -17.1675 0.6460 N.2 1 noname -0.1260 7 C3 30.4368 -17.8775 0.7210 C.2 1 noname 0.0057 8 C4 34.4856 -21.4183 0.4781 C.3 1 noname 0.0456 9 C5 29.7578 -16.6614 0.7751 C.2 1 noname 0.0020 10 C6 29.4448 -18.8594 0.7351 C.2 1 noname -0.0618 11 C7 33.6766 -21.8383 -0.7107 C.2 1 noname -0.0461 12 C8 35.8845 -22.0693 0.4012 C.3 1 noname -0.0424 13 C9 33.8936 -21.8383 1.8461 C.3 1 noname -0.0424 14 C10 28.3958 -16.9484 0.8201 C.2 1 noname 0.0650 15 C11 30.1857 -15.3224 0.7891 C.2 1 noname -0.0246 16 N4 28.2338 -18.2773 0.7941 N.3 1 noname -0.0016 17 C12 34.0966 -21.4553 -2.0046 C.2 1 noname -0.0514 18 C13 32.4906 -22.6002 -0.5947 C.2 1 noname -0.0514 19 N5 27.4677 -15.9634 0.8781 N.2 1 noname -0.2522 20 C14 29.2127 -14.3064 0.8491 C.2 1 noname -0.0520 21 C15 33.3605 -21.8202 -3.1446 C.2 1 noname -0.0590 22 C16 31.7516 -22.9662 -1.7326 C.2 1 noname -0.0590 23 C17 27.8467 -14.6553 0.8942 C.2 1 noname -0.0029 24 C18 32.1865 -22.5761 -3.0085 C.2 1 noname -0.0612 25 H1 35.6086 -19.6814 0.4491 H 1 noname 0.1326 26 H2 29.6087 -19.8673 0.7031 H 1 noname 0.0797 27 H3 35.7915 -23.1562 0.3722 H 1 noname 0.0253 28 H4 36.4705 -21.7922 1.2782 H 1 noname 0.0253 29 H5 36.4195 -21.7352 -0.4896 H 1 noname 0.0253 30 H6 34.5245 -21.4602 2.6511 H 1 noname 0.0253 31 H7 33.8506 -22.9262 1.9202 H 1 noname 0.0253 32 H8 32.8896 -21.4333 1.9752 H 1 noname 0.0253 33 H9 31.1776 -15.0864 0.7561 H 1 noname 0.0630 34 H10 27.3828 -18.7413 0.8141 H 1 noname 0.1537 35 H11 34.9445 -20.9003 -2.1196 H 1 noname 0.0626 36 H12 32.1525 -22.8942 0.3203 H 1 noname 0.0626 37 H13 29.4926 -13.3264 0.8611 H 1 noname 0.0639 38 H14 33.6785 -21.5332 -4.0715 H 1 noname 0.0622 39 H15 30.8975 -23.5151 -1.6305 H 1 noname 0.0622 40 H16 27.1367 -13.9243 0.9372 H 1 noname 0.0839 41 H17 31.6495 -22.8411 -3.8344 H 1 noname 0.0622 @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 5 8 1 9 5 25 1 10 7 9 1 11 7 10 2 12 8 11 1 13 8 12 1 14 8 13 1 15 9 14 2 16 9 15 1 17 10 16 1 18 10 26 1 19 11 17 2 20 11 18 1 21 12 27 1 22 12 28 1 23 12 29 1 24 13 30 1 25 13 31 1 26 13 32 1 27 14 19 1 28 14 16 1 29 15 20 2 30 15 33 1 31 16 34 1 32 17 21 1 33 17 35 1 34 18 22 2 35 18 36 1 36 19 23 2 37 20 23 1 38 20 37 1 39 21 24 2 40 21 38 1 41 22 24 1 42 22 39 1 43 23 40 1 44 24 41 1 @SUBSTRUCTURE 1 noname 1