REMARK Name = BDB012537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.704 -0.976 0.295 0.00 0.00 -0.253 N ATOM 2 C LIG 1 -0.834 0.029 -0.421 0.00 0.00 +0.159 C ATOM 3 C LIG 1 0.488 -0.365 0.106 0.00 0.00 +0.057 A ATOM 4 C LIG 1 0.424 -1.388 1.003 0.00 0.00 +0.061 A ATOM 5 C LIG 1 1.724 -1.706 1.404 0.00 0.00 +0.041 A ATOM 6 C LIG 1 2.578 -0.884 0.667 0.00 0.00 +0.052 A ATOM 7 N LIG 1 1.786 -0.029 -0.093 0.00 0.00 -0.338 N ATOM 8 C LIG 1 -0.942 -1.796 1.179 0.00 0.00 +0.254 C ATOM 9 O LIG 1 -1.287 -2.698 1.922 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 17 ATOM 10 C LIG 1 -6.112 -2.921 1.583 0.00 0.00 +0.049 C ATOM 11 C LIG 1 -5.232 -2.088 0.706 0.00 0.00 +0.016 A ATOM 12 C LIG 1 -5.889 -1.399 -0.445 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -7.090 -1.548 -0.652 0.00 0.00 -0.267 OA ATOM 14 N LIG 1 -5.053 -0.605 -1.224 0.00 0.00 -0.316 N ATOM 15 C LIG 1 -5.615 0.111 -2.359 0.00 0.00 +0.152 C ATOM 16 C LIG 1 -3.696 -0.479 -0.972 0.00 0.00 +0.112 A ATOM 17 C LIG 1 -3.076 -1.103 0.051 0.00 0.00 +0.054 A ATOM 18 C LIG 1 -3.914 -1.926 0.911 0.00 0.00 +0.033 A ENDBRANCH 1 17 BRANCH 6 19 ATOM 19 C LIG 1 3.999 -0.832 0.629 0.00 0.00 +0.015 A ATOM 20 C LIG 1 4.629 -1.250 -0.486 0.00 0.00 +0.098 A ATOM 21 N LIG 1 6.012 -1.245 -0.597 0.00 0.00 -0.318 N ATOM 22 C LIG 1 6.610 -1.702 -1.840 0.00 0.00 +0.152 C ATOM 23 C LIG 1 6.840 -0.821 0.440 0.00 0.00 +0.251 A ATOM 24 O LIG 1 8.066 -0.781 0.395 0.00 0.00 -0.268 OA ATOM 25 C LIG 1 6.148 -0.394 1.685 0.00 0.00 +0.071 A ATOM 26 C LIG 1 4.812 -0.411 1.755 0.00 0.00 +0.017 A ENDBRANCH 6 19 BRANCH 2 27 ATOM 27 C LIG 1 -1.214 1.466 -0.103 0.00 0.00 -0.021 A ATOM 28 C LIG 1 -1.385 1.911 1.221 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -1.740 3.235 1.490 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -1.927 4.129 0.440 0.00 0.00 +0.041 A ATOM 31 CL LIG 1 -2.361 5.760 0.771 0.00 0.00 -0.084 Cl ATOM 32 C LIG 1 -1.762 3.711 -0.878 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -1.407 2.387 -1.148 0.00 0.00 +0.007 A ENDBRANCH 2 27 BRANCH 7 34 ATOM 34 C LIG 1 2.248 0.982 -1.073 0.00 0.00 +0.088 C ATOM 35 C LIG 1 3.356 1.974 -0.790 0.00 0.00 +0.027 C ATOM 36 C LIG 1 1.948 2.455 -0.918 0.00 0.00 +0.027 C ENDBRANCH 7 34 TORSDOF 4