@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3933 31 33 1 SMALL USER_CHARGES @ATOM 1 O1 -4.2611 0.7817 0.6948 O.3 1 noname -0.2753 2 C1 -2.9241 0.9237 0.4548 C.2 1 noname 0.0193 3 C2 -4.8662 -0.4903 0.9439 C.3 1 noname 0.0423 4 C3 -2.0221 -0.1632 0.3849 C.2 1 noname 0.0235 5 C4 -2.4461 2.2388 0.2639 C.2 1 noname -0.0113 6 C5 -0.6671 0.0987 0.1349 C.2 1 noname 0.0182 7 C6 -1.0821 2.4869 0.0139 C.2 1 noname -0.0191 8 N1 0.3478 -0.7622 0.0089 N.2 1 noname -0.2399 9 C7 -0.1911 1.3979 -0.0360 C.2 1 noname -0.0541 10 C8 1.4329 -0.0031 -0.2340 C.2 1 noname -0.0346 11 N2 1.1378 1.3179 -0.2580 N.3 1 noname -0.0191 12 C9 2.0409 2.3310 -0.4630 C.2 1 noname -0.0557 13 C10 3.0719 2.1930 -1.4210 C.2 1 noname -0.0563 14 C11 1.9858 3.5261 0.2890 C.2 1 noname -0.0563 15 C12 4.0069 3.2211 -1.6320 C.2 1 noname -0.0688 16 C13 2.9189 4.5572 0.0810 C.2 1 noname -0.0688 17 C14 3.9298 4.4072 -0.8829 C.2 1 noname -0.0592 18 N3 4.8198 5.3913 -1.0839 N.3 1 noname -0.1604 19 H1 -5.9333 -0.3462 1.1119 H 1 noname 0.0535 20 H2 -4.7303 -1.1493 0.0859 H 1 noname 0.0535 21 H3 -4.4282 -0.9482 1.8319 H 1 noname 0.0535 22 H4 -2.3422 -1.1223 0.5109 H 1 noname 0.0673 23 H5 -3.0982 3.0229 0.3059 H 1 noname 0.0650 24 H6 -0.7551 3.4410 -0.1330 H 1 noname 0.0644 25 H7 2.3679 -0.3911 -0.3690 H 1 noname 0.1019 26 H8 3.1399 1.3410 -1.9790 H 1 noname 0.0643 27 H9 1.2728 3.6462 1.0081 H 1 noname 0.0643 28 H10 4.7399 3.1031 -2.3330 H 1 noname 0.0639 29 H11 2.8598 5.4113 0.6361 H 1 noname 0.0639 30 H12 4.7628 6.2114 -0.5678 H 1 noname 0.1242 31 H13 5.5208 5.2854 -1.7459 H 1 noname 0.1242 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 19 1 6 3 20 1 7 3 21 1 8 4 6 1 9 4 22 1 10 5 7 2 11 5 23 1 12 6 8 1 13 6 9 2 14 7 9 1 15 7 24 1 16 8 10 2 17 9 11 1 18 10 11 1 19 10 25 1 20 11 12 1 21 12 13 2 22 12 14 1 23 13 15 1 24 13 26 1 25 14 16 2 26 14 27 1 27 15 17 2 28 15 28 1 29 16 17 1 30 16 29 1 31 17 18 1 32 18 30 1 33 18 31 1 @SUBSTRUCTURE 1 noname 1