REMARK Name = BDB037565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.018 1.862 -1.130 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.995 0.974 -0.663 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.728 -0.304 -0.207 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.954 -0.823 0.285 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.926 0.090 0.131 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.629 -0.913 -0.256 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.474 -0.181 -1.317 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.355 1.129 -0.518 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.290 1.357 -1.285 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.267 2.097 -1.459 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.157 -0.879 1.176 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.390 -2.105 1.832 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.879 -2.141 3.138 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.143 -0.952 3.802 0.00 0.00 +0.123 A ATOM 15 F LIG 1 2.609 -0.984 5.057 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.927 0.272 3.182 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.438 0.310 1.874 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.260 2.154 -1.025 0.00 0.00 +0.114 C ATOM 19 C LIG 1 -3.845 3.008 0.112 0.00 0.00 +0.055 C ATOM 20 C LIG 1 -5.190 3.609 -0.279 0.00 0.00 +0.162 C ATOM 21 O LIG 1 -5.197 3.880 -1.677 0.00 0.00 -0.380 OA ATOM 22 C LIG 1 -5.254 2.683 -2.458 0.00 0.00 +0.162 C ATOM 23 C LIG 1 -4.384 1.566 -1.889 0.00 0.00 +0.055 C ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 C LIG 1 -2.205 -2.170 0.843 0.00 0.00 +0.268 C ATOM 25 N LIG 1 -3.234 -2.346 1.783 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -3.646 -3.709 2.085 0.00 0.00 +0.133 C ATOM 27 O LIG 1 -1.518 -3.123 0.474 0.00 0.00 -0.268 OA BRANCH 25 28 ATOM 28 C LIG 1 -3.885 -1.234 2.513 0.00 0.00 +0.176 C ATOM 29 C LIG 1 -4.073 -1.540 4.005 0.00 0.00 +0.044 C BRANCH 28 30 ATOM 30 C LIG 1 -5.191 -0.863 1.913 0.00 0.00 +0.085 C ATOM 31 N LIG 1 -6.228 -0.567 1.480 0.00 0.00 -0.195 NA ENDBRANCH 28 30 ENDBRANCH 25 28 ENDBRANCH 4 24 BRANCH 7 32 ATOM 32 N LIG 1 2.908 -0.481 -1.258 0.00 0.00 -0.299 N ATOM 33 H LIG 1 3.511 0.279 -0.968 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 3.404 -1.732 -1.527 0.00 0.00 +0.245 C ATOM 35 O LIG 1 2.688 -2.686 -1.807 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 4.880 -1.900 -1.433 0.00 0.00 +0.037 A ATOM 37 C LIG 1 5.771 -0.846 -1.679 0.00 0.00 +0.025 A ATOM 38 C LIG 1 7.160 -1.049 -1.584 0.00 0.00 +0.056 A ATOM 39 C LIG 1 7.640 -2.321 -1.234 0.00 0.00 +0.012 A ATOM 40 C LIG 1 6.756 -3.375 -1.004 0.00 0.00 +0.001 A ATOM 41 C LIG 1 5.380 -3.167 -1.109 0.00 0.00 +0.013 A BRANCH 38 42 ATOM 42 C LIG 1 8.110 0.097 -1.835 0.00 0.00 +0.417 C ATOM 43 F LIG 1 8.152 0.968 -0.790 0.00 0.00 -0.166 F ATOM 44 F LIG 1 9.396 -0.299 -2.045 0.00 0.00 -0.166 F ATOM 45 F LIG 1 7.765 0.836 -2.925 0.00 0.00 -0.166 F ENDBRANCH 38 42 ENDBRANCH 34 36 ENDBRANCH 7 32 BRANCH 1 47 ATOM 46 C LIG 1 -0.276 3.732 -2.730 0.00 0.00 +0.025 C ATOM 47 C LIG 1 -0.174 3.308 -1.272 0.00 0.00 +0.112 C ENDBRANCH 1 47 TORSDOF 9