@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443387 58 59 1 SMALL USER_CHARGES @ATOM 1 O1 0.9297 -11.6633 -3.9089 O.3 1 noname -0.3929 2 C1 1.9558 -10.8382 -3.3758 C.3 1 noname 0.0565 3 C2 2.1147 -11.1191 -1.8757 C.3 1 noname -0.0141 4 C3 3.2788 -11.1321 -4.0928 C.3 1 noname -0.0141 5 C4 3.2888 -10.3070 -1.3076 C.3 1 noname 0.0007 6 C5 4.4098 -10.3120 -3.4547 C.3 1 noname 0.0007 7 N1 4.5438 -10.6360 -2.0186 N.3 1 noname -0.3027 8 C6 5.6868 -9.8809 -1.4605 C.3 1 noname 0.0023 9 C7 6.0788 -10.3959 -0.0604 C.3 1 noname 0.0120 10 C8 7.3428 -9.7938 0.4086 C.2 1 noname -0.0641 11 C9 8.4879 -10.5888 0.6126 C.2 1 noname -0.0646 12 C10 7.4158 -8.4097 0.6607 C.2 1 noname -0.0646 13 C11 9.6879 -10.0067 1.0557 C.2 1 noname -0.0657 14 C12 8.6159 -7.8276 1.1037 C.2 1 noname -0.0657 15 C13 9.7639 -8.6206 1.3008 C.2 1 noname -0.0638 16 C14 11.0269 -8.0155 1.7678 C.3 1 noname 0.0044 17 C15 12.1369 -8.1044 0.7038 C.3 1 noname -0.0492 18 C16 13.4120 -7.4153 1.2129 C.3 1 noname -0.0530 19 C17 14.5270 -7.5033 0.1599 C.3 1 noname -0.0533 20 C18 15.7990 -6.8092 0.6689 C.3 1 noname -0.0533 21 C19 16.9110 -6.8852 -0.3870 C.3 1 noname -0.0535 22 C20 18.1811 -6.1871 0.1210 C.3 1 noname -0.0561 23 C21 19.2881 -6.2500 -0.9380 C.3 1 noname -0.0654 24 H1 0.7637 -11.5342 -4.8659 H 1 noname 0.2104 25 H2 1.6867 -9.7911 -3.5228 H 1 noname 0.0601 26 H3 2.3057 -12.1822 -1.7226 H 1 noname 0.0306 27 H4 1.1976 -10.8421 -1.3566 H 1 noname 0.0306 28 H5 3.1887 -10.8671 -5.1468 H 1 noname 0.0306 29 H6 3.5128 -12.1942 -4.0088 H 1 noname 0.0306 30 H7 3.3818 -10.5570 -0.2515 H 1 noname 0.0431 31 H8 3.0707 -9.2419 -1.4006 H 1 noname 0.0431 32 H9 4.2007 -9.2479 -3.5837 H 1 noname 0.0431 33 H10 5.3388 -10.5540 -3.9728 H 1 noname 0.0431 34 H11 6.5468 -10.0099 -2.1205 H 1 noname 0.0434 35 H12 5.4417 -8.8178 -1.4125 H 1 noname 0.0434 36 H13 5.2927 -10.1558 0.6556 H 1 noname 0.0329 37 H14 6.1727 -11.4829 -0.1134 H 1 noname 0.0329 38 H15 8.4518 -11.5928 0.4377 H 1 noname 0.0625 39 H16 6.5927 -7.8216 0.5227 H 1 noname 0.0625 40 H17 10.5089 -10.5957 1.2007 H 1 noname 0.0625 41 H18 8.6518 -6.8225 1.2788 H 1 noname 0.0625 42 H19 10.8728 -6.9624 2.0129 H 1 noname 0.0316 43 H20 11.3559 -8.5295 2.6719 H 1 noname 0.0316 44 H21 12.3619 -9.1495 0.4868 H 1 noname 0.0270 45 H22 11.8069 -7.6104 -0.2121 H 1 noname 0.0270 46 H23 13.1969 -6.3662 1.4219 H 1 noname 0.0267 47 H24 13.7439 -7.9023 2.1309 H 1 noname 0.0267 48 H25 14.7460 -8.5523 -0.0470 H 1 noname 0.0266 49 H26 14.1950 -7.0182 -0.7590 H 1 noname 0.0266 50 H27 15.5770 -5.7631 0.8840 H 1 noname 0.0266 51 H28 16.1360 -7.2992 1.5840 H 1 noname 0.0266 52 H29 17.1350 -7.9312 -0.6010 H 1 noname 0.0266 53 H30 16.5730 -6.3971 -1.3020 H 1 noname 0.0266 54 H31 17.9581 -5.1419 0.3431 H 1 noname 0.0264 55 H32 18.5271 -6.6800 1.0301 H 1 noname 0.0264 56 H33 20.1811 -5.7529 -0.5579 H 1 noname 0.0230 57 H34 19.5241 -7.2900 -1.1629 H 1 noname 0.0230 58 H35 18.9570 -5.7479 -1.8480 H 1 noname 0.0230 @BOND 1 1 2 1 2 1 24 1 3 2 3 1 4 2 4 1 5 2 25 1 6 3 5 1 7 3 26 1 8 3 27 1 9 4 6 1 10 4 28 1 11 4 29 1 12 5 7 1 13 5 30 1 14 5 31 1 15 6 7 1 16 6 32 1 17 6 33 1 18 7 8 1 19 8 9 1 20 8 34 1 21 8 35 1 22 9 10 1 23 9 36 1 24 9 37 1 25 10 11 2 26 10 12 1 27 11 13 1 28 11 38 1 29 12 14 2 30 12 39 1 31 13 15 2 32 13 40 1 33 14 15 1 34 14 41 1 35 15 16 1 36 16 17 1 37 16 42 1 38 16 43 1 39 17 18 1 40 17 44 1 41 17 45 1 42 18 19 1 43 18 46 1 44 18 47 1 45 19 20 1 46 19 48 1 47 19 49 1 48 20 21 1 49 20 50 1 50 20 51 1 51 21 22 1 52 21 52 1 53 21 53 1 54 22 23 1 55 22 54 1 56 22 55 1 57 23 56 1 58 23 57 1 59 23 58 1 @SUBSTRUCTURE 1 noname 1