REMARK Name = BDB003415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.127 -1.723 2.903 0.00 0.00 +0.124 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 2.696 0.922 0.808 0.00 0.00 -0.255 N ATOM 3 C LIG 1 2.479 -0.333 1.405 0.00 0.00 +0.309 C ATOM 4 O LIG 1 3.130 -1.346 1.136 0.00 0.00 -0.252 OA ATOM 5 N LIG 1 1.458 -0.402 2.355 0.00 0.00 -0.284 N ATOM 6 C LIG 1 0.460 0.640 2.507 0.00 0.00 +0.111 C ATOM 7 C LIG 1 1.090 1.997 2.346 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.738 2.013 0.981 0.00 0.00 +0.117 C BRANCH 2 11 ATOM 9 C LIG 1 6.011 0.569 -0.990 0.00 0.00 -0.013 A ATOM 10 C LIG 1 4.960 0.392 -0.068 0.00 0.00 +0.032 A ATOM 11 C LIG 1 3.760 1.119 -0.147 0.00 0.00 +0.038 A ATOM 12 C LIG 1 3.647 2.066 -1.176 0.00 0.00 +0.023 A ATOM 13 C LIG 1 4.676 2.259 -2.102 0.00 0.00 +0.002 A ATOM 14 C LIG 1 5.846 1.510 -2.013 0.00 0.00 +0.009 A BRANCH 9 20 ATOM 15 C LIG 1 11.065 -0.436 -0.312 0.00 0.00 -0.020 A ATOM 16 C LIG 1 9.645 -0.545 -0.549 0.00 0.00 +0.041 A ATOM 17 C LIG 1 9.389 -1.899 -0.756 0.00 0.00 +0.140 A ATOM 18 N LIG 1 8.211 -2.491 -1.011 0.00 0.00 -0.237 NA ATOM 19 C LIG 1 7.175 -1.621 -1.061 0.00 0.00 +0.123 A ATOM 20 C LIG 1 7.236 -0.238 -0.888 0.00 0.00 +0.019 A ATOM 21 N LIG 1 10.564 -2.586 -0.656 0.00 0.00 -0.346 N ATOM 22 H LIG 1 10.635 -3.587 -0.764 0.00 0.00 +0.167 HD ATOM 23 C LIG 1 8.509 0.293 -0.620 0.00 0.00 +0.061 A ATOM 24 CL LIG 1 8.776 1.964 -0.331 0.00 0.00 -0.082 Cl ATOM 25 C LIG 1 11.585 -1.719 -0.388 0.00 0.00 +0.088 A BRANCH 15 27 ATOM 26 C LIG 1 11.899 1.151 1.446 0.00 0.00 +0.009 C ATOM 27 C LIG 1 11.882 0.787 -0.032 0.00 0.00 +0.034 C ENDBRANCH 15 27 ENDBRANCH 9 20 ENDBRANCH 2 11 ENDBRANCH 1 5 BRANCH 1 28 ATOM 28 C LIG 1 0.240 -2.580 1.972 0.00 0.00 +0.103 C BRANCH 28 29 ATOM 29 N LIG 1 -1.127 -2.066 1.794 0.00 0.00 -0.298 NA ATOM 30 C LIG 1 -1.771 -2.605 0.577 0.00 0.00 +0.103 C ATOM 31 C LIG 1 -3.248 -3.044 0.724 0.00 0.00 +0.120 C ATOM 32 N LIG 1 -4.060 -2.115 1.538 0.00 0.00 -0.325 N ATOM 33 C LIG 1 -3.386 -1.607 2.756 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -1.986 -2.230 2.975 0.00 0.00 +0.103 C BRANCH 32 35 ATOM 35 C LIG 1 -4.731 -1.158 0.753 0.00 0.00 +0.066 A ATOM 36 C LIG 1 -4.176 0.086 0.348 0.00 0.00 +0.145 A ATOM 37 F LIG 1 -2.927 0.419 0.707 0.00 0.00 -0.204 F ATOM 38 C LIG 1 -4.877 0.990 -0.446 0.00 0.00 +0.053 A ATOM 39 C LIG 1 -6.145 0.622 -0.840 0.00 0.00 +0.044 A ATOM 40 C LIG 1 -7.106 1.358 -1.666 0.00 0.00 +0.248 C ATOM 41 N LIG 1 -8.202 0.527 -1.844 0.00 0.00 -0.282 N ATOM 42 C LIG 1 -8.104 -0.682 -1.037 0.00 0.00 +0.144 C ATOM 43 O LIG 1 -6.936 2.489 -2.079 0.00 0.00 -0.270 OA ATOM 44 C LIG 1 -6.726 -0.589 -0.476 0.00 0.00 -0.016 A ATOM 45 C LIG 1 -6.030 -1.487 0.316 0.00 0.00 +0.032 A BRANCH 41 46 ATOM 46 C LIG 1 -9.475 0.958 -2.412 0.00 0.00 +0.163 C ATOM 47 C LIG 1 -10.259 1.830 -1.419 0.00 0.00 +0.240 C ATOM 48 O LIG 1 -10.181 1.705 -0.198 0.00 0.00 -0.273 OA ATOM 49 N LIG 1 -11.166 2.705 -1.972 0.00 0.00 -0.255 N ATOM 50 H LIG 1 -11.703 3.257 -1.317 0.00 0.00 +0.158 HD ATOM 51 C LIG 1 -11.488 2.862 -3.297 0.00 0.00 +0.219 C ATOM 52 O LIG 1 -12.406 3.601 -3.641 0.00 0.00 -0.275 OA ATOM 53 C LIG 1 -10.723 2.016 -4.287 0.00 0.00 +0.098 C ATOM 54 C LIG 1 -9.340 1.667 -3.760 0.00 0.00 +0.041 C ENDBRANCH 41 46 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 8