REMARK Name = BDB057299 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.731 -1.092 0.306 0.00 0.00 +0.163 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.094 -1.467 1.667 0.00 0.00 +0.237 C ATOM 3 N LIG 1 -0.258 -0.520 2.694 0.00 0.00 -0.288 N ATOM 4 C LIG 1 0.958 -0.155 3.440 0.00 0.00 +0.162 C ATOM 5 C LIG 1 1.155 -1.244 4.484 0.00 0.00 +0.033 C ATOM 6 C LIG 1 -0.264 -1.756 4.742 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -1.152 -1.023 3.732 0.00 0.00 +0.109 C ATOM 8 O LIG 1 0.595 -2.482 1.792 0.00 0.00 -0.274 OA BRANCH 4 9 ATOM 9 C LIG 1 2.192 0.223 2.606 0.00 0.00 +0.234 C ATOM 10 N LIG 1 1.887 1.044 1.538 0.00 0.00 -0.307 N ATOM 11 H LIG 1 0.909 1.156 1.302 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 3.340 -0.058 2.933 0.00 0.00 -0.274 OA BRANCH 10 13 ATOM 13 C LIG 1 2.873 1.414 0.549 0.00 0.00 +0.104 C ATOM 14 C LIG 1 2.892 0.470 -0.623 0.00 0.00 -0.021 A ATOM 15 C LIG 1 2.920 1.178 -1.829 0.00 0.00 -0.007 A ATOM 16 C LIG 1 2.970 0.509 -3.036 0.00 0.00 +0.127 A ATOM 17 C LIG 1 2.996 -0.882 -3.049 0.00 0.00 +0.038 A ATOM 18 C LIG 1 2.991 -1.596 -1.841 0.00 0.00 +0.003 A ATOM 19 F LIG 1 3.010 1.190 -4.188 0.00 0.00 -0.205 F ATOM 20 C LIG 1 2.969 2.651 -1.594 0.00 0.00 +0.040 C ATOM 21 C LIG 1 2.946 -0.919 -0.619 0.00 0.00 +0.006 A ATOM 22 C LIG 1 2.493 2.742 -0.139 0.00 0.00 +0.032 C ENDBRANCH 10 13 ENDBRANCH 4 9 ENDBRANCH 1 2 BRANCH 1 24 ATOM 23 C LIG 1 -0.728 -2.220 -1.897 0.00 0.00 +0.230 C ATOM 24 N LIG 1 -0.675 -2.305 -0.516 0.00 0.00 -0.302 N ATOM 25 H LIG 1 -0.131 -3.071 -0.123 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 -0.996 -1.175 -2.483 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 C LIG 1 -0.433 -3.559 -2.607 0.00 0.00 +0.137 C ATOM 28 C LIG 1 -0.348 -3.393 -4.122 0.00 0.00 +0.034 C BRANCH 27 30 ATOM 29 C LIG 1 -2.754 -4.383 -2.659 0.00 0.00 +0.101 C ATOM 30 N LIG 1 -1.395 -4.603 -2.176 0.00 0.00 -0.309 NA ATOM 31 H LIG 1 -1.416 -4.623 -1.156 0.00 0.00 +0.122 HD ENDBRANCH 27 30 ENDBRANCH 23 27 ENDBRANCH 1 24 BRANCH 1 32 ATOM 32 C LIG 1 -2.161 -0.528 0.389 0.00 0.00 +0.069 C BRANCH 32 33 ATOM 33 C LIG 1 -2.195 0.981 0.487 0.00 0.00 -0.010 A ATOM 34 C LIG 1 -2.731 1.621 1.601 0.00 0.00 +0.127 A ATOM 35 F LIG 1 -3.240 0.902 2.611 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -2.754 3.009 1.697 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -2.245 3.808 0.658 0.00 0.00 +0.060 A ATOM 38 C LIG 1 -1.711 3.176 -0.487 0.00 0.00 -0.038 A ATOM 39 C LIG 1 -1.175 3.971 -1.649 0.00 0.00 +0.044 C ATOM 40 C LIG 1 -1.704 1.772 -0.563 0.00 0.00 +0.010 A BRANCH 37 41 ATOM 41 C LIG 1 -2.280 5.314 0.793 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.926 5.925 -0.238 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.032 5.859 0.835 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.905 5.742 1.926 0.00 0.00 -0.166 F ENDBRANCH 37 41 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 9