REMARK Name = BDB037720 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.309 -1.015 0.408 0.00 0.00 +0.089 A ATOM 2 C LIG 1 -0.513 -0.118 -0.349 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.678 -0.342 -1.200 0.00 0.00 +0.083 C ATOM 4 C LIG 1 1.589 0.896 -1.237 0.00 0.00 +0.172 C ATOM 5 C LIG 1 0.906 2.267 -0.986 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -0.333 2.336 -0.326 0.00 0.00 -0.254 N ATOM 7 O LIG 1 1.551 3.296 -1.237 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -0.996 1.137 -0.052 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -2.239 0.910 0.535 0.00 0.00 -0.218 N ATOM 10 N LIG 1 -2.297 -0.354 1.031 0.00 0.00 -0.167 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 0.136 -0.737 -2.572 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.501 -1.989 -3.106 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.042 -2.394 -4.360 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.778 -1.549 -5.095 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -1.220 -1.937 -6.298 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -1.141 -0.303 -4.602 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.683 0.106 -3.347 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -3.435 1.678 0.498 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.437 1.431 1.448 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.635 2.148 1.404 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.846 3.093 0.402 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.868 3.317 -0.566 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.666 2.606 -0.527 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 2.690 0.829 -0.261 0.00 0.00 -0.297 N ATOM 25 H LIG 1 2.929 1.672 0.260 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.713 -0.100 -0.379 0.00 0.00 +0.282 C ATOM 27 O LIG 1 3.657 -1.045 -1.159 0.00 0.00 -0.267 OA BRANCH 26 28 ATOM 28 C LIG 1 4.903 0.154 0.520 0.00 0.00 +0.216 A ATOM 29 N LIG 1 5.919 -0.727 0.483 0.00 0.00 -0.219 NA ATOM 30 C LIG 1 6.977 -0.470 1.294 0.00 0.00 +0.147 A ATOM 31 C LIG 1 6.999 0.638 2.131 0.00 0.00 +0.052 A ATOM 32 C LIG 1 5.906 1.474 2.087 0.00 0.00 +0.115 A ATOM 33 N LIG 1 4.843 1.262 1.292 0.00 0.00 -0.232 NA BRANCH 30 34 ATOM 34 C LIG 1 8.149 -1.440 1.320 0.00 0.00 +0.434 C ATOM 35 F LIG 1 9.341 -0.809 1.545 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.035 -2.365 2.315 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.319 -2.140 0.166 0.00 0.00 -0.164 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 1 38 ATOM 38 C LIG 1 -1.147 -2.517 0.544 0.00 0.00 +0.121 C ATOM 39 C LIG 1 0.010 -2.911 1.459 0.00 0.00 +0.034 C BRANCH 38 41 ATOM 40 C LIG 1 -2.907 -3.296 2.141 0.00 0.00 +0.237 C ATOM 41 N LIG 1 -2.434 -3.130 0.864 0.00 0.00 -0.304 N ATOM 42 H LIG 1 -3.144 -2.964 0.166 0.00 0.00 +0.150 HD ATOM 43 O LIG 1 -2.254 -3.203 3.172 0.00 0.00 -0.271 OA BRANCH 40 45 ATOM 44 C LIG 1 -5.089 -4.218 1.302 0.00 0.00 +0.013 C ATOM 45 C LIG 1 -4.364 -3.583 2.233 0.00 0.00 +0.059 C ENDBRANCH 40 45 ENDBRANCH 38 41 ENDBRANCH 1 38 BRANCH 6 46 ATOM 46 C LIG 1 -0.650 3.620 0.311 0.00 0.00 +0.112 C ATOM 47 C LIG 1 0.112 3.804 1.619 0.00 0.00 +0.025 C ENDBRANCH 6 46 TORSDOF 9