@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441565 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 1.9280 -5.7920 1.1390 O.2 1 noname -0.2809 2 C1 3.0530 -5.3290 0.8450 C.2 1 noname 0.0643 3 N1 3.1350 -4.0359 0.4211 N.3 1 noname 0.0142 4 C2 4.2260 -6.1149 0.9451 C.2 1 noname 0.0683 5 C3 4.3189 -3.4519 0.0821 C.2 1 noname -0.0806 6 N2 4.1729 -7.4039 1.3631 N.2 1 noname -0.2033 7 C4 5.4679 -5.5308 0.5961 C.2 1 noname 0.0661 8 C5 5.5109 -4.1818 0.1602 C.2 1 noname -0.0068 9 C6 5.2859 -8.1648 1.4611 C.2 1 noname 0.0608 10 C7 6.6129 -6.3468 0.7071 C.2 1 noname 0.0675 11 N3 6.4828 -7.6288 1.1322 N.2 1 noname -0.2011 12 N4 7.8428 -5.8757 0.3902 N.3 1 noname -0.2244 13 C8 9.0308 -6.6547 0.4762 C.3 1 noname 0.0296 14 C9 10.2547 -5.8726 -0.0226 C.3 1 noname 0.0672 15 C10 9.4047 -7.0126 1.9243 C.3 1 noname -0.0307 16 C11 10.3196 -5.7766 -1.3866 C.1 1 noname 0.0647 17 C12 11.4286 -6.6576 0.5793 C.3 1 noname -0.0350 18 C13 10.9387 -7.0676 1.9734 C.3 1 noname -0.0497 19 N5 10.3716 -5.6945 -2.5305 N.1 1 noname -0.1945 20 H1 2.3189 -3.5159 0.3611 H 1 noname 0.1368 21 H2 4.3349 -2.4808 -0.2297 H 1 noname 0.0754 22 H3 6.3929 -3.7368 -0.0967 H 1 noname 0.0641 23 H4 5.2238 -9.1318 1.7782 H 1 noname 0.1062 24 H5 7.9178 -4.9647 0.0692 H 1 noname 0.1500 25 H6 8.9207 -7.5776 -0.0996 H 1 noname 0.0556 26 H7 10.2446 -4.8696 0.4064 H 1 noname 0.0484 27 H8 9.0487 -6.2406 2.6084 H 1 noname 0.0290 28 H9 8.9737 -7.9756 2.2034 H 1 noname 0.0290 29 H10 12.3276 -6.0415 0.6444 H 1 noname 0.0281 30 H11 11.6346 -7.5575 -0.0055 H 1 noname 0.0281 31 H12 11.3086 -6.3635 2.7194 H 1 noname 0.0268 32 H13 11.2826 -8.0745 2.2144 H 1 noname 0.0268 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 20 1 6 4 6 2 7 4 7 1 8 5 8 2 9 5 21 1 10 6 9 1 11 7 10 2 12 7 8 1 13 8 22 1 14 9 11 2 15 9 23 1 16 10 12 1 17 10 11 1 18 12 13 1 19 12 24 1 20 13 14 1 21 13 15 1 22 13 25 1 23 14 16 1 24 14 17 1 25 14 26 1 26 15 18 1 27 15 27 1 28 15 28 1 29 16 19 3 30 17 18 1 31 17 29 1 32 17 30 1 33 18 31 1 34 18 32 1 @SUBSTRUCTURE 1 noname 1