@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3692 29 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.7639 2.0996 0.4371 Cl 1 noname 0.0033 2 C1 -2.2810 1.3406 0.1712 C.2 1 noname 0.1141 3 N1 -1.1241 2.0107 0.3882 N.2 1 noname -0.1621 4 N2 -2.2380 0.0567 -0.2607 N.2 1 noname -0.1764 5 C2 0.0808 1.4217 0.1813 C.2 1 noname 0.0680 6 C3 -1.0631 -0.5822 -0.4846 C.2 1 noname 0.0683 7 C4 1.2957 2.0928 0.3993 C.2 1 noname 0.0903 8 C5 0.1508 0.0858 -0.2686 C.2 1 noname 0.0613 9 N3 2.4667 1.4388 0.1714 N.2 1 noname -0.2088 10 N4 1.2687 3.3758 0.8364 N.3 1 noname 0.0150 11 N5 1.3487 -0.5101 -0.4775 N.2 1 noname -0.2240 12 C6 2.5076 0.1559 -0.2615 C.2 1 noname 0.0630 13 C7 2.3716 4.1148 1.0884 C.2 1 noname -0.0334 14 C8 2.9005 4.1659 2.3914 C.2 1 noname -0.0629 15 C9 2.9806 4.8548 0.0585 C.2 1 noname -0.0663 16 C10 4.0415 4.9449 2.6705 C.2 1 noname -0.0604 17 C11 4.1185 5.6338 0.3285 C.2 1 noname -0.0649 18 C12 4.6474 5.6779 1.6296 C.2 1 noname -0.0875 19 C13 4.5814 4.9789 4.0375 C.3 1 noname -0.0016 20 H1 -1.0651 -1.5491 -0.8086 H 1 noname 0.0864 21 H2 0.4006 3.7838 0.9874 H 1 noname 0.1358 22 H3 3.4035 -0.3040 -0.4214 H 1 noname 0.1062 23 H4 2.4565 3.6329 3.1405 H 1 noname 0.0642 24 H5 2.5985 4.8268 -0.8874 H 1 noname 0.0639 25 H6 4.5604 6.1679 -0.4193 H 1 noname 0.0623 26 H7 5.4744 6.2460 1.8176 H 1 noname 0.0625 27 H8 5.4583 5.6260 4.0996 H 1 noname 0.0279 28 H9 3.8204 5.3570 4.7216 H 1 noname 0.0279 29 H10 4.8673 3.9720 4.3436 H 1 noname 0.0279 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 5 8 1 8 6 8 1 9 6 20 1 10 7 9 1 11 7 10 1 12 8 11 2 13 9 12 2 14 10 13 1 15 10 21 1 16 11 12 1 17 12 22 1 18 13 14 2 19 13 15 1 20 14 16 1 21 14 23 1 22 15 17 2 23 15 24 1 24 16 18 2 25 16 19 1 26 17 18 1 27 17 25 1 28 18 26 1 29 19 27 1 30 19 28 1 31 19 29 1 @SUBSTRUCTURE 1 noname 1