REMARK Name = BDB037887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.211 -0.346 -0.202 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.453 -1.394 0.174 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.113 -1.292 -0.011 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.562 -0.189 -0.538 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.251 0.905 -0.897 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.649 0.807 -0.738 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.439 -0.778 0.457 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.718 0.265 1.047 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.343 1.151 1.838 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.347 0.417 0.838 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.651 -0.485 0.020 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.384 -1.525 -0.569 0.00 0.00 +0.136 A ATOM 13 F LIG 1 3.779 -2.397 -1.391 0.00 0.00 -0.205 F ATOM 14 C LIG 1 5.758 -1.677 -0.360 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.527 -1.893 0.199 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.777 -0.813 0.739 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.943 -0.151 -0.711 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.849 -0.591 0.370 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.620 -1.927 0.102 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.145 -1.940 -1.352 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.037 -1.640 -2.362 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.430 -0.270 -2.092 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -2.694 -3.092 0.227 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -2.438 -3.259 1.198 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.156 -3.935 -0.118 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.768 -2.128 1.154 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.866 -1.047 1.171 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -6.579 -1.036 0.020 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.748 -1.310 2.173 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -5.365 -3.429 0.957 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -4.747 -4.090 1.311 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.330 2.194 -1.435 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 N LIG 1 0.033 3.345 -0.617 0.00 0.00 -0.324 N ATOM 34 C LIG 1 -0.421 3.632 0.647 0.00 0.00 +0.091 A ATOM 35 C LIG 1 0.186 4.841 0.967 0.00 0.00 +0.110 A ATOM 36 C LIG 1 -0.069 5.418 2.208 0.00 0.00 +0.164 A ATOM 37 N LIG 1 -0.905 4.780 3.058 0.00 0.00 -0.155 NA ATOM 38 N LIG 1 -1.498 3.575 2.717 0.00 0.00 -0.156 NA ATOM 39 N LIG 1 0.978 5.277 -0.073 0.00 0.00 -0.234 NA ATOM 40 C LIG 1 -1.270 2.986 1.526 0.00 0.00 +0.163 A ATOM 41 C LIG 1 0.855 4.364 -1.010 0.00 0.00 +0.200 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9