REMARK Name = BDB026002 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.271 -0.972 1.131 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.445 0.111 0.740 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.136 0.214 1.218 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.381 -0.753 2.095 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.448 -1.819 2.472 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.007 -2.777 3.294 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.754 -1.934 2.001 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.229 -3.116 -2.182 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.124 -2.079 -1.059 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.244 -2.158 -0.071 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.391 -3.487 0.524 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -6.046 -1.079 0.945 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -7.153 -1.029 2.003 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.645 -1.102 1.627 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.584 -1.036 0.595 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.708 -2.121 -0.411 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.774 -0.645 2.580 0.00 0.00 -0.024 C ATOM 18 C LIG 1 2.859 -0.520 1.522 0.00 0.00 +0.143 C ATOM 19 N LIG 1 4.196 -0.695 2.101 0.00 0.00 -0.295 N ATOM 20 C LIG 1 4.432 -0.047 3.390 0.00 0.00 +0.112 C ATOM 21 C LIG 1 3.430 -0.559 4.432 0.00 0.00 +0.046 C ATOM 22 C LIG 1 2.031 -0.664 3.902 0.00 0.00 -0.020 C BRANCH 19 23 ATOM 23 C LIG 1 5.216 -0.514 1.163 0.00 0.00 +0.218 A ATOM 24 N LIG 1 6.443 -0.162 1.586 0.00 0.00 -0.222 NA ATOM 25 C LIG 1 7.414 -0.016 0.662 0.00 0.00 +0.120 A ATOM 26 C LIG 1 7.229 -0.202 -0.687 0.00 0.00 +0.003 A ATOM 27 C LIG 1 5.948 -0.567 -1.027 0.00 0.00 +0.120 A ATOM 28 N LIG 1 4.947 -0.725 -0.138 0.00 0.00 -0.222 NA BRANCH 26 29 ATOM 29 C LIG 1 8.326 -0.038 -1.693 0.00 0.00 +0.122 C BRANCH 29 30 ATOM 30 N LIG 1 8.500 1.296 -2.285 0.00 0.00 -0.304 NA ATOM 31 C LIG 1 7.361 1.733 -3.087 0.00 0.00 +0.104 C ATOM 32 C LIG 1 8.891 2.317 -1.320 0.00 0.00 +0.104 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 33 ATOM 33 N LIG 1 -2.046 1.040 -0.136 0.00 0.00 -0.280 N ATOM 34 H LIG 1 -3.008 0.780 -0.354 0.00 0.00 +0.155 HD ATOM 35 C LIG 1 -1.510 2.190 -0.655 0.00 0.00 +0.250 C ATOM 36 O LIG 1 -0.396 2.654 -0.452 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 -2.476 2.936 -1.512 0.00 0.00 +0.065 A ATOM 38 C LIG 1 -2.966 2.459 -2.800 0.00 0.00 +0.073 A ATOM 39 C LIG 1 -3.828 3.225 -3.500 0.00 0.00 +0.083 A ATOM 40 C LIG 1 -4.277 4.537 -2.973 0.00 0.00 +0.249 A ATOM 41 O LIG 1 -5.069 5.232 -3.595 0.00 0.00 -0.268 OA ATOM 42 N LIG 1 -3.746 4.905 -1.762 0.00 0.00 -0.328 N ATOM 43 H LIG 1 -4.037 5.810 -1.409 0.00 0.00 +0.168 HD ATOM 44 C LIG 1 -2.863 4.135 -1.047 0.00 0.00 +0.099 A BRANCH 38 45 ATOM 45 C LIG 1 -2.470 1.149 -3.326 0.00 0.00 +0.418 C ATOM 46 F LIG 1 -1.121 1.045 -3.289 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -2.978 0.108 -2.618 0.00 0.00 -0.166 F ATOM 48 F LIG 1 -2.838 0.939 -4.618 0.00 0.00 -0.166 F ENDBRANCH 38 45 ENDBRANCH 35 37 ENDBRANCH 2 33 TORSDOF 8