REMARK Name = BDB063324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.862 0.285 0.026 0.00 0.00 +0.165 C ATOM 2 N LIG 1 0.426 0.513 0.264 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -0.465 0.357 -0.778 0.00 0.00 +0.227 C ATOM 4 O LIG 1 -0.043 -0.105 -1.847 0.00 0.00 -0.275 OA ATOM 5 C LIG 1 0.179 0.759 1.673 0.00 0.00 +0.145 C ATOM 6 C LIG 1 1.321 0.037 2.362 0.00 0.00 +0.186 C ATOM 7 F LIG 1 1.583 0.572 3.574 0.00 0.00 -0.244 F ATOM 8 C LIG 1 2.495 0.251 1.422 0.00 0.00 +0.070 C ENDROOT BRANCH 3 9 ATOM 9 C LIG 1 -1.984 0.721 -0.608 0.00 0.00 +0.072 C ATOM 10 C LIG 1 -2.081 2.202 -0.126 0.00 0.00 +0.021 C ATOM 11 C LIG 1 -3.436 2.893 -0.327 0.00 0.00 +0.001 C ATOM 12 C LIG 1 -3.985 2.730 -1.734 0.00 0.00 +0.000 C ATOM 13 C LIG 1 -4.017 1.264 -2.134 0.00 0.00 +0.001 C ATOM 14 C LIG 1 -2.620 0.657 -2.041 0.00 0.00 +0.021 C BRANCH 9 15 ATOM 15 C LIG 1 -2.668 -0.346 0.280 0.00 0.00 -0.032 A ATOM 16 C LIG 1 -2.540 -1.708 -0.055 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -3.139 -2.711 0.714 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -3.887 -2.386 1.850 0.00 0.00 +0.026 A ATOM 19 C LIG 1 -4.017 -1.041 2.203 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -3.413 -0.038 1.428 0.00 0.00 +0.005 A BRANCH 18 21 ATOM 21 C LIG 1 -4.503 -3.499 2.636 0.00 0.00 +0.265 C ATOM 22 O LIG 1 -4.252 -4.661 2.308 0.00 0.00 -0.283 OA BRANCH 21 23 ATOM 23 C LIG 1 -5.401 -3.139 3.807 0.00 0.00 +0.455 C ATOM 24 F LIG 1 -4.727 -2.468 4.785 0.00 0.00 -0.163 F ATOM 25 F LIG 1 -5.963 -4.222 4.410 0.00 0.00 -0.163 F ATOM 26 F LIG 1 -6.435 -2.330 3.440 0.00 0.00 -0.163 F ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 9 15 ENDBRANCH 3 9 BRANCH 1 28 ATOM 27 O LIG 1 1.846 2.521 -0.893 0.00 0.00 -0.273 OA ATOM 28 C LIG 1 2.461 1.451 -0.780 0.00 0.00 +0.239 C ATOM 29 N LIG 1 3.710 1.412 -1.311 0.00 0.00 -0.269 N ATOM 30 H LIG 1 3.968 2.302 -1.724 0.00 0.00 +0.156 HD BRANCH 29 31 ATOM 31 C LIG 1 4.742 0.485 -1.446 0.00 0.00 +0.126 A ATOM 32 N LIG 1 5.843 1.058 -1.974 0.00 0.00 -0.229 NA ATOM 33 C LIG 1 6.911 0.248 -2.147 0.00 0.00 +0.110 A ATOM 34 C LIG 1 6.906 -1.096 -1.818 0.00 0.00 +0.084 A ATOM 35 N LIG 1 8.154 -1.552 -2.144 0.00 0.00 -0.275 N ATOM 36 H LIG 1 8.518 -2.494 -2.047 0.00 0.00 +0.189 HD ATOM 37 N LIG 1 8.969 -0.606 -2.652 0.00 0.00 -0.180 NA ATOM 38 C LIG 1 5.777 -1.702 -1.284 0.00 0.00 +0.032 A ATOM 39 C LIG 1 8.202 0.492 -2.654 0.00 0.00 +0.162 A ATOM 40 C LIG 1 4.671 -0.862 -1.104 0.00 0.00 +0.046 A ENDBRANCH 29 31 ENDBRANCH 1 28 TORSDOF 6