REMARK Name = BDB034571 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.060 1.194 0.188 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.075 0.176 0.215 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -1.180 1.736 0.469 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -1.483 2.922 0.504 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.650 1.620 -0.687 0.00 0.00 -0.032 A ATOM 6 C LIG 1 2.388 1.070 -0.368 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.257 1.863 -0.118 0.00 0.00 +0.034 A ATOM 8 C LIG 1 1.378 3.247 -0.180 0.00 0.00 +0.023 A ATOM 9 C LIG 1 2.609 3.827 -0.481 0.00 0.00 +0.002 A ATOM 10 C LIG 1 3.724 3.025 -0.727 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 4.935 0.689 -0.961 0.00 0.00 +0.080 C ATOM 12 C LIG 1 4.710 -0.576 -1.848 0.00 0.00 +0.177 C ATOM 13 O LIG 1 5.929 -0.290 -2.590 0.00 0.00 -0.378 OA ATOM 14 C LIG 1 5.841 1.092 -2.159 0.00 0.00 +0.177 C BRANCH 11 15 ATOM 15 C LIG 1 5.722 0.511 0.350 0.00 0.00 +0.248 C ATOM 16 F LIG 1 6.574 1.576 0.474 0.00 0.00 -0.236 F BRANCH 15 19 ATOM 17 C LIG 1 8.790 -0.077 -0.105 0.00 0.00 +0.151 C ATOM 18 N LIG 1 7.780 -1.008 0.320 0.00 0.00 -0.318 N ATOM 19 C LIG 1 6.445 -0.779 0.535 0.00 0.00 +0.168 A ATOM 20 N LIG 1 5.895 -1.903 0.959 0.00 0.00 -0.132 NA ATOM 21 N LIG 1 6.864 -2.873 0.996 0.00 0.00 -0.138 NA ATOM 22 C LIG 1 7.989 -2.322 0.609 0.00 0.00 +0.224 A ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 -2.216 0.687 0.752 0.00 0.00 +0.126 A ATOM 24 N LIG 1 -1.782 -0.605 0.696 0.00 0.00 -0.247 NA ATOM 25 C LIG 1 -2.673 -1.595 0.951 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -4.003 -1.282 1.258 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -4.447 0.049 1.300 0.00 0.00 -0.029 A ATOM 28 C LIG 1 -3.517 1.056 1.051 0.00 0.00 +0.038 A BRANCH 25 29 ATOM 29 C LIG 1 -2.147 -3.015 0.881 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -2.658 -4.106 1.791 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -2.981 -4.144 0.324 0.00 0.00 +0.010 C ENDBRANCH 25 29 BRANCH 27 32 ATOM 32 C LIG 1 -5.882 0.382 1.645 0.00 0.00 +0.120 C BRANCH 32 33 ATOM 33 N LIG 1 -6.882 0.490 0.581 0.00 0.00 -0.292 NA ATOM 34 C LIG 1 -6.532 1.390 -0.533 0.00 0.00 +0.126 C ATOM 35 C LIG 1 -7.204 0.372 -1.500 0.00 0.00 +0.134 C ATOM 36 F LIG 1 -6.529 0.129 -2.652 0.00 0.00 -0.240 F ATOM 37 C LIG 1 -8.663 0.643 -1.832 0.00 0.00 +0.050 C ATOM 38 C LIG 1 -6.950 -0.649 -0.353 0.00 0.00 +0.126 C ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 3 23 TORSDOF 8