REMARK Name = BDB025814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.518 -1.056 -0.301 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.902 0.215 -0.416 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.490 0.345 -0.327 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.318 -0.778 -0.145 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.686 -2.027 -0.048 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.418 -3.140 0.119 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.700 -2.172 -0.121 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.673 -3.386 1.933 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.490 -2.208 1.388 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.377 -2.734 0.323 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.790 -2.506 0.614 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.030 -2.225 -1.018 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.507 -2.150 -1.236 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.925 -1.135 -0.338 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.565 -1.017 0.997 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.779 -0.638 -0.064 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.572 -1.341 0.822 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.916 -1.222 0.919 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.532 -0.361 0.093 0.00 0.00 +0.218 A ATOM 20 N LIG 1 4.855 0.366 -0.808 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.512 0.214 -0.865 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.905 -0.245 0.156 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.571 -0.852 1.311 0.00 0.00 +0.136 C ATOM 24 C LIG 1 9.082 -0.587 1.231 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.423 0.809 1.224 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.399 1.644 0.660 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.543 0.947 -0.410 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.780 1.297 -0.642 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.740 0.980 -0.738 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.470 2.618 -0.872 0.00 0.00 +0.248 C ATOM 31 O LIG 1 -0.347 3.103 -0.947 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.640 3.516 -1.080 0.00 0.00 +0.040 A ATOM 33 C LIG 1 -2.488 4.625 -1.923 0.00 0.00 +0.033 A ATOM 34 C LIG 1 -3.563 5.486 -2.136 0.00 0.00 +0.043 A ATOM 35 CL LIG 1 -3.377 6.838 -3.182 0.00 0.00 -0.083 Cl ATOM 36 C LIG 1 -4.787 5.261 -1.512 0.00 0.00 +0.040 A ATOM 37 C LIG 1 -4.928 4.168 -0.660 0.00 0.00 +0.043 A ATOM 38 CL LIG 1 -6.433 3.888 0.127 0.00 0.00 -0.083 Cl ATOM 39 C LIG 1 -3.864 3.296 -0.434 0.00 0.00 +0.033 A ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5