REMARK Name = BDB037610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.163 2.052 -0.839 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.107 1.059 -0.548 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.804 -0.256 -0.268 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -2.009 -0.982 -0.502 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.003 -0.116 -0.790 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.595 -0.674 0.032 0.00 0.00 +0.102 C ATOM 7 C LIG 1 1.520 0.116 -0.907 0.00 0.00 +0.173 C ATOM 8 N LIG 1 -2.491 1.105 -0.471 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.182 1.641 -0.979 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.079 2.437 -1.292 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.162 -2.455 -0.538 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.374 -3.027 -0.901 0.00 0.00 -0.280 N ATOM 13 C LIG 1 -4.645 -2.369 -1.216 0.00 0.00 +0.179 C ATOM 14 C LIG 1 -5.459 -3.481 -1.901 0.00 0.00 +0.039 C ATOM 15 C LIG 1 -4.953 -4.754 -1.243 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -3.470 -4.470 -1.059 0.00 0.00 +0.109 C ATOM 17 O LIG 1 -1.198 -3.184 -0.291 0.00 0.00 -0.268 OA BRANCH 13 18 ATOM 18 C LIG 1 -5.348 -1.907 -0.001 0.00 0.00 +0.085 C ATOM 19 N LIG 1 -5.938 -1.602 0.950 0.00 0.00 -0.195 NA ENDBRANCH 13 18 ENDBRANCH 4 11 BRANCH 6 20 ATOM 20 C LIG 1 0.764 -0.370 1.515 0.00 0.00 +0.051 A ATOM 21 N LIG 1 1.176 0.873 1.876 0.00 0.00 -0.259 NA ATOM 22 C LIG 1 1.320 1.130 3.195 0.00 0.00 +0.111 A ATOM 23 C LIG 1 1.057 0.206 4.192 0.00 0.00 +0.020 A ATOM 24 C LIG 1 0.638 -1.059 3.816 0.00 0.00 +0.003 A ATOM 25 C LIG 1 0.482 -1.355 2.463 0.00 0.00 +0.024 A ENDBRANCH 6 20 BRANCH 8 26 ATOM 26 C LIG 1 -3.357 2.114 0.016 0.00 0.00 +0.067 A ATOM 27 C LIG 1 -4.700 2.136 -0.384 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.567 3.095 0.145 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -5.104 4.015 1.086 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -3.778 3.972 1.511 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -2.906 3.017 0.985 0.00 0.00 +0.028 A ENDBRANCH 8 26 BRANCH 7 32 ATOM 32 N LIG 1 2.978 -0.008 -0.734 0.00 0.00 -0.299 N ATOM 33 H LIG 1 3.500 0.818 -1.011 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 3.632 -1.031 -0.115 0.00 0.00 +0.245 C ATOM 35 O LIG 1 3.100 -2.003 0.404 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 5.101 -0.874 -0.054 0.00 0.00 +0.037 A ATOM 37 C LIG 1 5.844 -0.689 -1.218 0.00 0.00 +0.025 A ATOM 38 C LIG 1 7.239 -0.557 -1.144 0.00 0.00 +0.056 A ATOM 39 C LIG 1 7.861 -0.594 0.115 0.00 0.00 +0.012 A ATOM 40 C LIG 1 7.113 -0.784 1.278 0.00 0.00 +0.001 A ATOM 41 C LIG 1 5.731 -0.938 1.191 0.00 0.00 +0.013 A BRANCH 38 42 ATOM 42 C LIG 1 8.056 -0.345 -2.387 0.00 0.00 +0.417 C ATOM 43 F LIG 1 8.118 0.965 -2.744 0.00 0.00 -0.166 F ATOM 44 F LIG 1 9.345 -0.757 -2.248 0.00 0.00 -0.166 F ATOM 45 F LIG 1 7.563 -1.002 -3.472 0.00 0.00 -0.166 F ENDBRANCH 38 42 ENDBRANCH 34 36 ENDBRANCH 7 32 BRANCH 1 47 ATOM 46 C LIG 1 0.039 4.467 -0.226 0.00 0.00 +0.025 C ATOM 47 C LIG 1 -0.474 3.430 -1.220 0.00 0.00 +0.112 C ENDBRANCH 1 47 TORSDOF 8