REMARK Name = BDB009501 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.288 1.436 -1.909 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.131 2.715 -1.384 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.087 3.220 -1.143 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.245 3.502 -1.108 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.526 3.011 -1.372 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.704 1.729 -1.917 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.570 0.952 -2.202 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 4.192 -1.670 2.740 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 4.608 -1.172 1.697 0.00 0.00 +0.248 C ATOM 10 N LIG 1 3.770 -0.598 0.746 0.00 0.00 -0.294 N ATOM 11 C LIG 1 2.344 -0.499 1.067 0.00 0.00 +0.127 C ATOM 12 C LIG 1 1.609 0.523 0.191 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.798 0.276 -1.246 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.875 0.592 -2.237 0.00 0.00 +0.249 C ATOM 15 O LIG 1 0.957 0.167 -3.388 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.977 -0.505 -1.628 0.00 0.00 +0.127 C ATOM 17 C LIG 1 4.147 -0.328 -0.651 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 6.064 -1.194 1.463 0.00 0.00 +0.055 A ATOM 19 C LIG 1 6.762 -2.375 1.689 0.00 0.00 +0.127 A ATOM 20 N LIG 1 8.102 -2.504 1.516 0.00 0.00 -0.221 NA ATOM 21 C LIG 1 8.746 -1.390 1.133 0.00 0.00 +0.212 A ATOM 22 C LIG 1 8.161 -0.159 0.912 0.00 0.00 +0.068 A ATOM 23 C LIG 1 6.784 -0.057 1.089 0.00 0.00 +0.020 A BRANCH 21 24 ATOM 24 O LIG 1 10.082 -1.552 0.977 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 10.166 -2.492 1.220 0.00 0.00 +0.294 HD ENDBRANCH 21 24 ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -4.088 1.210 -2.243 0.00 0.00 +0.092 C BRANCH 26 27 ATOM 27 C LIG 1 -5.037 1.223 -1.048 0.00 0.00 +0.069 A ATOM 28 C LIG 1 -5.073 0.050 -0.118 0.00 0.00 -0.016 A ATOM 29 C LIG 1 -4.172 -1.133 -0.330 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -4.123 -2.086 0.869 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.513 -2.317 1.447 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -6.146 -0.998 1.895 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -5.950 0.113 0.900 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -6.797 1.318 1.081 0.00 0.00 +0.268 A ATOM 35 O LIG 1 -7.592 1.417 2.010 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -6.634 2.308 0.151 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -7.210 3.138 0.253 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -5.780 2.281 -0.906 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5