@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444065 56 58 1 SMALL USER_CHARGES @ATOM 1 N1 21.1720 -3.7036 0.4511 N.2 1 noname -0.2437 2 C1 21.1520 -5.0336 0.2362 C.2 1 noname 0.0849 3 C2 22.1129 -3.0996 1.2181 C.2 1 noname 0.0572 4 N2 22.1099 -5.7945 0.8042 N.2 1 noname -0.2671 5 N3 20.1819 -5.5605 -0.5326 N.3 1 noname -0.0692 6 N4 22.0289 -1.7516 1.3342 N.3 1 noname -0.0977 7 C3 23.1339 -3.8646 1.8452 C.2 1 noname -0.0152 8 C4 23.0758 -5.2535 1.5803 C.2 1 noname 0.0279 9 C5 20.0879 -6.9484 -0.8066 C.3 1 noname 0.0029 10 C6 20.9918 -0.9446 0.7872 C.3 1 noname 0.0128 11 C7 24.1418 -3.3005 2.6982 C.2 1 noname 0.0186 12 C8 18.8709 -7.2164 -1.7015 C.3 1 noname -0.0404 13 C9 21.3918 0.5423 0.9153 C.3 1 noname -0.0370 14 C10 19.6568 -1.1765 1.5203 C.3 1 noname -0.0370 15 N5 24.1257 -1.9675 2.9782 N.2 1 noname -0.2427 16 C11 25.1807 -4.0535 3.3012 C.2 1 noname -0.0145 17 C12 18.7538 -8.7163 -2.0105 C.3 1 noname -0.0549 18 C13 20.9438 1.1823 2.2463 C.3 1 noname -0.0477 19 C14 19.7938 -0.9264 3.0363 C.3 1 noname -0.0477 20 C15 25.0116 -1.3205 3.7732 C.2 1 noname 0.0003 21 C16 26.1226 -3.4254 4.1322 C.2 1 noname -0.0379 22 C17 17.5348 -8.9902 -2.8994 C.3 1 noname -0.0653 23 C18 20.8587 0.1394 3.3743 C.3 1 noname -0.0289 24 C19 26.0445 -2.0474 4.3763 C.2 1 noname -0.0291 25 C20 20.5357 0.8044 4.7233 C.3 1 noname -0.0048 26 N6 21.6286 1.6884 5.1323 N.3 1 noname -0.3301 27 H1 19.5209 -4.9625 -0.9136 H 1 noname 0.1312 28 H2 22.7218 -1.2926 1.8272 H 1 noname 0.1299 29 H3 23.7597 -5.8944 1.9783 H 1 noname 0.0848 30 H4 19.9758 -7.5014 0.1274 H 1 noname 0.0433 31 H5 20.9918 -7.2854 -1.3175 H 1 noname 0.0433 32 H6 20.8738 -1.1755 -0.2736 H 1 noname 0.0468 33 H7 17.9669 -6.8823 -1.1905 H 1 noname 0.0279 34 H8 18.9798 -6.6633 -2.6355 H 1 noname 0.0279 35 H9 22.4747 0.6334 0.8204 H 1 noname 0.0282 36 H10 20.9318 1.1004 0.0994 H 1 noname 0.0282 37 H11 18.9148 -0.4875 1.1143 H 1 noname 0.0282 38 H12 19.3058 -2.1944 1.3543 H 1 noname 0.0282 39 H13 25.2716 -5.0564 3.1472 H 1 noname 0.0645 40 H14 19.6548 -9.0512 -2.5264 H 1 noname 0.0264 41 H15 18.6478 -9.2722 -1.0785 H 1 noname 0.0264 42 H16 21.6517 1.9663 2.5173 H 1 noname 0.0270 43 H17 19.9588 1.6334 2.1113 H 1 noname 0.0270 44 H18 20.0727 -1.8604 3.5263 H 1 noname 0.0270 45 H19 18.8207 -0.6134 3.4173 H 1 noname 0.0270 46 H20 24.9256 -0.3155 3.9293 H 1 noname 0.0839 47 H21 26.8675 -3.9743 4.5612 H 1 noname 0.0623 48 H22 17.4738 -10.0571 -3.1113 H 1 noname 0.0230 49 H23 16.6258 -8.6742 -2.3864 H 1 noname 0.0230 50 H24 17.6308 -8.4422 -3.8363 H 1 noname 0.0230 51 H25 21.8287 -0.3515 3.4654 H 1 noname 0.0315 52 H26 26.7245 -1.5844 4.9783 H 1 noname 0.0638 53 H27 19.6147 1.3835 4.6383 H 1 noname 0.0428 54 H28 20.4047 0.0335 5.4833 H 1 noname 0.0428 55 H29 21.3896 2.0445 6.0593 H 1 noname 0.1184 56 H30 22.4565 1.0995 5.2444 H 1 noname 0.1184 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 2 7 4 8 2 8 5 9 1 9 5 27 1 10 6 10 1 11 6 28 1 12 7 11 1 13 7 8 1 14 8 29 1 15 9 12 1 16 9 30 1 17 9 31 1 18 10 13 1 19 10 14 1 20 10 32 1 21 11 15 2 22 11 16 1 23 12 17 1 24 12 33 1 25 12 34 1 26 13 18 1 27 13 35 1 28 13 36 1 29 14 19 1 30 14 37 1 31 14 38 1 32 15 20 1 33 16 21 2 34 16 39 1 35 17 22 1 36 17 40 1 37 17 41 1 38 18 23 1 39 18 42 1 40 18 43 1 41 19 23 1 42 19 44 1 43 19 45 1 44 20 24 2 45 20 46 1 46 21 24 1 47 21 47 1 48 22 48 1 49 22 49 1 50 22 50 1 51 23 25 1 52 23 51 1 53 24 52 1 54 25 26 1 55 25 53 1 56 25 54 1 57 26 55 1 58 26 56 1 @SUBSTRUCTURE 1 noname 1