REMARK Name = BDB009396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.982 -1.338 1.070 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.002 -0.907 1.941 0.00 0.00 -0.264 N ATOM 3 C LIG 1 3.332 0.386 1.832 0.00 0.00 +0.138 C ATOM 4 C LIG 1 1.875 0.252 1.308 0.00 0.00 +0.124 C ATOM 5 N LIG 1 1.136 -0.904 1.893 0.00 0.00 -0.287 N ATOM 6 C LIG 1 -0.253 -1.044 1.817 0.00 0.00 +0.250 C ATOM 7 O LIG 1 -0.841 -2.103 2.026 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.893 -2.131 2.203 0.00 0.00 +0.128 C ATOM 9 C LIG 1 3.291 -1.869 2.769 0.00 0.00 +0.130 C ATOM 10 O LIG 1 5.383 -2.494 1.027 0.00 0.00 -0.226 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.082 0.105 1.426 0.00 0.00 +0.072 A ATOM 12 C LIG 1 -1.210 1.212 2.257 0.00 0.00 +0.135 A ATOM 13 F LIG 1 -0.547 1.278 3.421 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -2.009 2.284 1.877 0.00 0.00 +0.039 A ATOM 15 C LIG 1 -2.701 2.239 0.663 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -2.612 1.111 -0.169 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -1.790 0.043 0.220 0.00 0.00 +0.020 A BRANCH 16 18 ATOM 18 C LIG 1 -3.355 1.053 -1.484 0.00 0.00 +0.094 C BRANCH 18 19 ATOM 19 C LIG 1 -4.837 1.384 -1.368 0.00 0.00 +0.087 A ATOM 20 C LIG 1 -5.760 0.403 -0.695 0.00 0.00 +0.059 A ATOM 21 N LIG 1 -5.306 -0.798 -0.173 0.00 0.00 -0.342 N ATOM 22 H LIG 1 -4.396 -1.123 -0.484 0.00 0.00 +0.146 HD ATOM 23 C LIG 1 -6.231 -1.840 0.247 0.00 0.00 +0.102 C ATOM 24 C LIG 1 -7.431 -1.198 0.938 0.00 0.00 +0.023 C ATOM 25 C LIG 1 -8.072 -0.118 0.055 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -7.051 0.761 -0.615 0.00 0.00 +0.041 A ATOM 27 C LIG 1 -7.511 2.045 -1.187 0.00 0.00 +0.270 A ATOM 28 O LIG 1 -8.689 2.385 -1.149 0.00 0.00 -0.266 OA ATOM 29 N LIG 1 -6.545 2.826 -1.764 0.00 0.00 -0.243 N ATOM 30 H LIG 1 -6.844 3.711 -2.163 0.00 0.00 +0.192 HD ATOM 31 N LIG 1 -5.223 2.523 -1.866 0.00 0.00 -0.174 NA ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 6 11 BRANCH 4 32 ATOM 32 C LIG 1 1.801 0.302 -0.217 0.00 0.00 -0.026 A ATOM 33 C LIG 1 2.141 -0.789 -1.028 0.00 0.00 +0.005 A ATOM 34 C LIG 1 2.049 -0.703 -2.420 0.00 0.00 +0.000 A ATOM 35 C LIG 1 1.622 0.477 -3.023 0.00 0.00 +0.000 A ATOM 36 C LIG 1 1.290 1.574 -2.236 0.00 0.00 +0.000 A ATOM 37 C LIG 1 1.381 1.489 -0.845 0.00 0.00 +0.005 A ENDBRANCH 4 32 BRANCH 1 38 ATOM 38 O LIG 1 5.439 -0.336 0.280 0.00 0.00 -0.445 OA BRANCH 38 40 ATOM 39 C LIG 1 6.691 0.804 -1.368 0.00 0.00 +0.055 C ATOM 40 C LIG 1 6.493 -0.561 -0.691 0.00 0.00 +0.107 C ATOM 41 C LIG 1 6.074 -1.577 -1.758 0.00 0.00 +0.055 C ATOM 42 C LIG 1 7.801 -0.962 -0.002 0.00 0.00 +0.055 C ENDBRANCH 38 40 ENDBRANCH 1 38 TORSDOF 6