@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443654 38 41 1 SMALL USER_CHARGES @ATOM 1 O1 22.9336 -18.3525 0.4342 O.3 1 noname -0.3196 2 C1 24.2536 -18.0835 0.4122 C.2 1 noname 0.1563 3 C2 22.3426 -17.1395 0.4282 C.2 1 noname 0.1129 4 N1 24.4465 -16.7574 0.3923 N.2 1 noname -0.1357 5 N2 25.2436 -18.9964 0.4023 N.3 1 noname -0.0408 6 N3 23.2875 -16.1845 0.4023 N.2 1 noname -0.1261 7 C3 20.9585 -16.9124 0.4413 C.2 1 noname 0.0057 8 C4 25.0105 -20.4004 0.4183 C.3 1 noname 0.0371 9 C5 19.9315 -17.8524 0.4663 C.2 1 noname 0.0020 10 C6 20.3255 -15.6674 0.4263 C.2 1 noname -0.0618 11 C7 26.2845 -21.1104 0.1583 C.2 1 noname -0.0474 12 C8 24.3945 -20.8494 1.7604 C.3 1 noname -0.0451 13 C9 18.7275 -17.1524 0.4643 C.2 1 noname 0.0650 14 C10 19.9185 -19.2574 0.4904 C.2 1 noname -0.0246 15 N4 18.9914 -15.8393 0.4404 N.3 1 noname -0.0016 16 C11 26.4095 -21.9673 -0.9555 C.2 1 noname -0.0523 17 C12 27.3945 -20.9423 1.0154 C.2 1 noname -0.0523 18 N5 17.5364 -17.7973 0.4834 N.2 1 noname -0.2522 19 C13 18.6744 -19.9173 0.5104 C.2 1 noname -0.0520 20 C14 27.6164 -22.6423 -1.2084 C.2 1 noname -0.0592 21 C15 28.6024 -21.6153 0.7634 C.2 1 noname -0.0592 22 C16 17.4854 -19.1583 0.5064 C.2 1 noname -0.0029 23 C17 28.7134 -22.4653 -0.3484 C.2 1 noname -0.0613 24 H1 26.1585 -18.6764 0.3553 H 1 noname 0.1324 25 H2 24.2935 -20.6414 -0.3715 H 1 noname 0.0517 26 H3 20.7984 -14.7623 0.4073 H 1 noname 0.0797 27 H4 24.2885 -21.9353 1.7764 H 1 noname 0.0250 28 H5 25.0264 -20.5373 2.5924 H 1 noname 0.0250 29 H6 23.4064 -20.4053 1.8824 H 1 noname 0.0250 30 H7 20.7864 -19.7933 0.4924 H 1 noname 0.0630 31 H8 18.3284 -15.1323 0.4324 H 1 noname 0.1537 32 H9 25.6194 -22.1033 -1.5865 H 1 noname 0.0626 33 H10 27.3234 -20.3253 1.8255 H 1 noname 0.0626 34 H11 18.6334 -20.9363 0.5274 H 1 noname 0.0639 35 H12 27.6964 -23.2603 -2.0164 H 1 noname 0.0622 36 H13 29.3984 -21.4853 1.3885 H 1 noname 0.0622 37 H14 16.5813 -19.6303 0.5205 H 1 noname 0.0839 38 H15 29.5893 -22.9542 -0.5313 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 24 1 10 7 9 1 11 7 10 2 12 8 11 1 13 8 12 1 14 8 25 1 15 9 13 2 16 9 14 1 17 10 15 1 18 10 26 1 19 11 16 2 20 11 17 1 21 12 27 1 22 12 28 1 23 12 29 1 24 13 18 1 25 13 15 1 26 14 19 2 27 14 30 1 28 15 31 1 29 16 20 1 30 16 32 1 31 17 21 2 32 17 33 1 33 18 22 2 34 19 22 1 35 19 34 1 36 20 23 2 37 20 35 1 38 21 23 1 39 21 36 1 40 22 37 1 41 23 38 1 @SUBSTRUCTURE 1 noname 1