REMARK Name = BDB042507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.998 -0.359 0.332 0.00 0.00 +0.021 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.871 -0.085 -0.897 0.00 0.00 +0.054 C BRANCH 2 10 ATOM 3 C LIG 1 -6.518 -2.673 -1.236 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -6.738 -1.331 -0.591 0.00 0.00 -0.042 A ATOM 5 C LIG 1 -5.682 -0.418 -0.368 0.00 0.00 -0.005 A ATOM 6 C LIG 1 -5.960 0.824 0.241 0.00 0.00 +0.082 A ATOM 7 C LIG 1 -4.850 1.782 0.473 0.00 0.00 +0.259 A ATOM 8 N LIG 1 -3.598 1.373 0.069 0.00 0.00 -0.326 N ATOM 9 H LIG 1 -2.859 2.048 0.229 0.00 0.00 +0.169 HD ATOM 10 C LIG 1 -3.311 0.166 -0.518 0.00 0.00 +0.020 A ATOM 11 O LIG 1 -5.006 2.880 0.991 0.00 0.00 -0.267 OA ATOM 12 C LIG 1 -7.262 1.146 0.619 0.00 0.00 +0.136 A ATOM 13 F LIG 1 -7.559 2.317 1.200 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -8.301 0.250 0.401 0.00 0.00 +0.039 A ATOM 15 C LIG 1 -4.292 -0.719 -0.751 0.00 0.00 +0.030 A ATOM 16 C LIG 1 -8.043 -0.981 -0.201 0.00 0.00 +0.007 A ENDBRANCH 2 10 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 0.452 -0.709 -0.035 0.00 0.00 +0.085 C BRANCH 17 18 ATOM 18 N LIG 1 1.129 0.319 -0.839 0.00 0.00 -0.299 NA ATOM 19 C LIG 1 1.412 1.562 -0.086 0.00 0.00 +0.103 C ATOM 20 C LIG 1 2.520 1.442 0.977 0.00 0.00 +0.123 C ATOM 21 N LIG 1 3.747 0.840 0.450 0.00 0.00 -0.295 N ATOM 22 C LIG 1 4.898 1.017 1.222 0.00 0.00 +0.247 C ATOM 23 O LIG 1 4.916 1.640 2.281 0.00 0.00 -0.270 OA ATOM 24 C LIG 1 3.540 -0.360 -0.371 0.00 0.00 +0.123 C ATOM 25 C LIG 1 2.404 -0.185 -1.398 0.00 0.00 +0.103 C BRANCH 22 26 ATOM 26 C LIG 1 6.176 0.447 0.742 0.00 0.00 +0.037 A ATOM 27 C LIG 1 6.937 -0.341 1.614 0.00 0.00 +0.016 A ATOM 28 C LIG 1 8.159 -0.861 1.187 0.00 0.00 +0.039 A ATOM 29 C LIG 1 8.615 -0.575 -0.097 0.00 0.00 +0.123 A ATOM 30 F LIG 1 9.789 -1.075 -0.505 0.00 0.00 -0.205 F ATOM 31 C LIG 1 7.878 0.229 -0.962 0.00 0.00 +0.039 A ATOM 32 C LIG 1 6.654 0.752 -0.540 0.00 0.00 +0.016 A ENDBRANCH 22 26 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 5