@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443665 37 40 1 SMALL USER_CHARGES @ATOM 1 O1 4.3236 -6.4904 2.5061 O.3 1 noname -0.3239 2 C1 5.3516 -6.7783 1.6861 C.2 1 noname 0.1522 3 C2 3.4205 -5.8674 1.7191 C.2 1 noname 0.1110 4 N1 5.0785 -6.3423 0.4471 N.2 1 noname -0.1371 5 N2 6.4735 -7.4123 2.0741 N.3 1 noname -0.0431 6 N3 3.9095 -5.7913 0.4681 N.2 1 noname -0.1298 7 C3 2.1675 -5.3793 2.1442 C.2 1 noname -0.0020 8 C4 7.5365 -7.6963 1.1752 C.3 1 noname 0.0285 9 C5 1.2915 -4.7523 1.2242 C.2 1 noname 0.0253 10 C6 1.7715 -5.5163 3.5002 C.2 1 noname -0.0007 11 C7 8.6265 -8.3962 1.8792 C.2 1 noname -0.0486 12 C8 0.0514 -4.2862 1.6882 C.2 1 noname 0.0311 13 C9 0.5214 -5.0413 3.9473 C.2 1 noname -0.0187 14 C10 8.9864 -9.7122 1.5243 C.2 1 noname -0.0531 15 C11 9.3284 -7.7481 2.9173 C.2 1 noname -0.0531 16 C12 -1.0115 -3.6492 1.0683 C.2 1 noname 0.0502 17 C13 -0.3245 -4.4262 3.0143 C.2 1 noname -0.0366 18 C14 10.0274 -10.3731 2.2003 C.2 1 noname -0.0594 19 C15 10.3684 -8.4081 3.5933 C.2 1 noname -0.0594 20 N4 -1.9606 -3.4301 1.9993 N.2 1 noname -0.3635 21 N5 -1.0986 -3.3051 -0.2236 N.3 1 noname -0.1066 22 N6 -1.5466 -3.8921 3.1423 N.3 1 noname -0.0600 23 C16 10.7173 -9.7211 3.2354 C.2 1 noname -0.0613 24 H1 6.5555 -7.6862 3.0002 H 1 noname 0.1321 25 H2 7.9224 -6.7652 0.7552 H 1 noname 0.0483 26 H3 7.1535 -8.3112 0.3562 H 1 noname 0.0483 27 H4 1.5464 -4.6382 0.2412 H 1 noname 0.0638 28 H5 2.3934 -5.9653 4.1753 H 1 noname 0.0631 29 H6 0.2404 -5.1422 4.9233 H 1 noname 0.0643 30 H7 8.4904 -10.1941 0.7733 H 1 noname 0.0626 31 H8 9.0804 -6.7941 3.1823 H 1 noname 0.0626 32 H9 10.2803 -11.3261 1.9384 H 1 noname 0.0622 33 H10 10.8703 -7.9341 4.3444 H 1 noname 0.0622 34 H11 -1.8956 -2.8601 -0.5515 H 1 noname 0.1258 35 H12 -0.3676 -3.5021 -0.8285 H 1 noname 0.1258 36 H13 -2.0516 -3.8551 3.9704 H 1 noname 0.1755 37 H14 11.4733 -10.2001 3.7254 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 2 11 7 10 1 12 8 11 1 13 8 25 1 14 8 26 1 15 9 12 1 16 9 27 1 17 10 13 2 18 10 28 1 19 11 14 2 20 11 15 1 21 12 16 1 22 12 17 2 23 13 17 1 24 13 29 1 25 14 18 1 26 14 30 1 27 15 19 2 28 15 31 1 29 16 20 2 30 16 21 1 31 17 22 1 32 18 23 2 33 18 32 1 34 19 23 1 35 19 33 1 36 20 22 1 37 21 34 1 38 21 35 1 39 22 36 1 40 23 37 1 @SUBSTRUCTURE 1 noname 1