@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3520 30 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.8105 4.6579 6.0671 Cl 1 noname -0.0837 2 C1 2.5945 4.9240 4.4101 C.2 1 noname -0.0144 3 C2 1.6654 4.1531 3.6852 C.2 1 noname -0.0245 4 C3 3.3385 5.9210 3.7522 C.2 1 noname -0.0490 5 C4 1.4854 4.3621 2.3003 C.2 1 noname -0.0212 6 C5 3.1514 6.1471 2.3792 C.2 1 noname -0.0527 7 N1 0.5863 3.6692 1.5543 N.3 1 noname 0.0059 8 C6 2.2253 5.3741 1.6583 C.2 1 noname -0.0539 9 C7 0.3503 2.3282 1.5914 C.2 1 noname 0.0395 10 N2 1.0482 1.5203 2.4324 N.2 1 noname -0.2557 11 C8 -0.6166 1.7523 0.7384 C.2 1 noname -0.0313 12 C9 0.8542 0.1833 2.4945 C.2 1 noname 0.0446 13 C10 -0.8007 0.3494 0.8195 C.2 1 noname 0.0517 14 C11 -1.3947 2.4964 -0.1764 C.2 1 noname -0.0186 15 N3 -0.0677 -0.3875 1.6876 N.2 1 noname -0.2652 16 C12 -1.7447 -0.2905 -0.0023 C.2 1 noname -0.0055 17 C13 -2.3367 1.8514 -0.9954 C.2 1 noname -0.0471 18 C14 -2.5128 0.4584 -0.9103 C.2 1 noname -0.0062 19 N4 -3.4118 -0.1544 -1.6952 N.3 1 noname -0.1519 20 H1 1.1134 3.4401 4.1642 H 1 noname 0.0655 21 H2 4.0144 6.4891 4.2662 H 1 noname 0.0638 22 H3 3.6864 6.8741 1.9043 H 1 noname 0.0623 23 H4 0.0943 4.1802 0.8934 H 1 noname 0.1357 24 H5 2.0943 5.5492 0.6614 H 1 noname 0.0639 25 H6 1.3972 -0.3875 3.1415 H 1 noname 0.1062 26 H7 -1.2827 3.5074 -0.2534 H 1 noname 0.0631 27 H8 -1.8718 -1.3024 0.0606 H 1 noname 0.0662 28 H9 -2.8928 2.3985 -1.6523 H 1 noname 0.0639 29 H10 -3.9419 0.3626 -2.3232 H 1 noname 0.1242 30 H11 -3.5329 -1.1144 -1.6382 H 1 noname 0.1242 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 20 1 6 4 6 2 7 4 21 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 22 1 12 7 9 1 13 7 23 1 14 8 24 1 15 9 10 2 16 9 11 1 17 10 12 1 18 11 13 1 19 11 14 2 20 12 15 2 21 12 25 1 22 13 16 2 23 13 15 1 24 14 17 1 25 14 26 1 26 16 18 1 27 16 27 1 28 17 18 2 29 17 28 1 30 18 19 1 31 19 29 1 32 19 30 1 @SUBSTRUCTURE 1 noname 1