REMARK Name = BDB034564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.813 -0.424 0.114 0.00 0.00 +0.267 C ATOM 2 N LIG 1 0.297 -0.556 1.389 0.00 0.00 -0.280 N ATOM 3 H LIG 1 0.885 -0.161 2.120 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.259 -0.712 -0.941 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 4.093 1.040 -1.091 0.00 0.00 -0.026 A ATOM 6 C LIG 1 4.668 1.310 0.160 0.00 0.00 +0.037 A ATOM 7 C LIG 1 3.971 1.013 1.338 0.00 0.00 +0.145 A ATOM 8 N LIG 1 2.724 0.463 1.320 0.00 0.00 -0.238 NA ATOM 9 C LIG 1 2.184 0.188 0.101 0.00 0.00 +0.127 A ATOM 10 C LIG 1 2.823 0.446 -1.104 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 4.631 1.328 2.677 0.00 0.00 +0.434 C ATOM 12 F LIG 1 3.908 0.921 3.756 0.00 0.00 -0.164 F ATOM 13 F LIG 1 4.843 2.664 2.850 0.00 0.00 -0.164 F ATOM 14 F LIG 1 5.856 0.740 2.804 0.00 0.00 -0.164 F ENDBRANCH 7 11 BRANCH 5 16 ATOM 15 C LIG 1 6.280 0.976 -2.395 0.00 0.00 +0.029 C ATOM 16 C LIG 1 4.790 1.352 -2.413 0.00 0.00 +0.084 C BRANCH 16 17 ATOM 17 N LIG 1 4.655 2.706 -2.974 0.00 0.00 -0.290 NA ATOM 18 C LIG 1 4.989 3.828 -2.075 0.00 0.00 +0.123 C ATOM 19 C LIG 1 3.813 4.612 -2.706 0.00 0.00 +0.194 C ATOM 20 F LIG 1 3.060 5.345 -1.853 0.00 0.00 -0.243 F ATOM 21 C LIG 1 3.271 3.210 -3.076 0.00 0.00 +0.123 C ENDBRANCH 16 17 ENDBRANCH 5 16 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -0.938 -1.103 1.774 0.00 0.00 +0.034 A ATOM 23 C LIG 1 -1.782 -1.798 0.903 0.00 0.00 +0.027 A ATOM 24 C LIG 1 -3.017 -2.347 1.320 0.00 0.00 -0.035 A ATOM 25 C LIG 1 -3.372 -2.135 2.666 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -2.540 -1.446 3.549 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -1.321 -0.943 3.105 0.00 0.00 +0.023 A BRANCH 24 28 ATOM 28 C LIG 1 -3.968 -3.148 0.302 0.00 0.00 +0.049 C ATOM 29 C LIG 1 -4.724 -4.404 0.815 0.00 0.00 +0.174 C ATOM 30 O LIG 1 -4.287 -5.177 -0.335 0.00 0.00 -0.378 OA ATOM 31 C LIG 1 -3.273 -4.184 -0.620 0.00 0.00 +0.174 C BRANCH 28 32 ATOM 32 C LIG 1 -4.854 -2.185 -0.509 0.00 0.00 +0.092 C BRANCH 32 33 ATOM 33 C LIG 1 -5.714 -1.335 0.364 0.00 0.00 +0.134 A ATOM 34 N LIG 1 -5.618 0.028 0.492 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -4.712 0.913 -0.185 0.00 0.00 +0.151 C ATOM 36 C LIG 1 -6.550 0.390 1.413 0.00 0.00 +0.224 A ATOM 37 N LIG 1 -7.177 -0.679 1.843 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -6.658 -1.764 1.179 0.00 0.00 -0.135 NA ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 24 28 ENDBRANCH 2 22 TORSDOF 8