@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441563 31 33 1 SMALL USER_CHARGES @ATOM 1 O1 2.8338 -8.5180 0.8849 O.2 1 noname -0.2810 2 C1 3.9748 -8.0380 0.7020 C.2 1 noname 0.0635 3 N1 4.0837 -6.7139 0.3990 N.3 1 noname 0.0141 4 C2 5.1388 -8.8379 0.8020 C.2 1 noname 0.0621 5 C3 5.2867 -6.1098 0.1841 C.2 1 noname -0.0814 6 N2 5.0587 -10.1580 1.1011 N.2 1 noname -0.2190 7 C4 6.3998 -8.2338 0.5811 C.2 1 noname 0.0477 8 C5 6.4708 -6.8507 0.2701 C.2 1 noname -0.0120 9 C6 6.1627 -10.9319 1.1992 C.2 1 noname 0.0554 10 C7 7.5357 -9.0638 0.6862 C.2 1 noname 0.0579 11 N3 7.3777 -10.3769 0.9912 N.2 1 noname -0.2206 12 N4 8.7827 -8.5728 0.4922 N.3 1 noname -0.1002 13 C8 9.9608 -9.3618 0.5803 C.3 1 noname 0.0128 14 C9 10.0847 -10.3918 -0.5487 C.3 1 noname -0.0373 15 C10 11.2128 -8.5017 0.3933 C.3 1 noname -0.0373 16 C11 11.5867 -10.6788 -0.6666 C.3 1 noname -0.0517 17 C12 12.3067 -9.5037 0.0103 C.3 1 noname -0.0517 18 H1 3.2736 -6.1848 0.3361 H 1 noname 0.1368 19 H2 5.3237 -5.1147 -0.0388 H 1 noname 0.0754 20 H3 7.3678 -6.3917 0.1071 H 1 noname 0.0641 21 H4 6.0807 -11.9219 1.4262 H 1 noname 0.1062 22 H5 8.8797 -7.6287 0.2943 H 1 noname 0.1299 23 H6 10.0157 -9.8648 1.5483 H 1 noname 0.0468 24 H7 9.7206 -9.9637 -1.4837 H 1 noname 0.0282 25 H8 9.5296 -11.3018 -0.3156 H 1 noname 0.0282 26 H9 11.0637 -7.7937 -0.4236 H 1 noname 0.0282 27 H10 11.4677 -7.9687 1.3104 H 1 noname 0.0282 28 H11 11.8307 -11.6078 -0.1495 H 1 noname 0.0267 29 H12 11.8747 -10.7547 -1.7166 H 1 noname 0.0267 30 H13 13.0287 -9.0447 -0.6666 H 1 noname 0.0267 31 H14 12.8137 -9.8547 0.9094 H 1 noname 0.0267 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 18 1 6 4 6 2 7 4 7 1 8 5 8 2 9 5 19 1 10 6 9 1 11 7 10 2 12 7 8 1 13 8 20 1 14 9 11 2 15 9 21 1 16 10 12 1 17 10 11 1 18 12 13 1 19 12 22 1 20 13 14 1 21 13 15 1 22 13 23 1 23 14 16 1 24 14 24 1 25 14 25 1 26 15 17 1 27 15 26 1 28 15 27 1 29 16 17 1 30 16 28 1 31 16 29 1 32 17 30 1 33 17 31 1 @SUBSTRUCTURE 1 noname 1