REMARK Name = BDB025650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.528 3.172 0.065 0.00 0.00 +0.022 A ATOM 2 C LIG 1 -0.841 3.049 -0.223 0.00 0.00 +0.133 A ATOM 3 F LIG 1 -1.575 4.141 -0.485 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.486 1.813 -0.264 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.770 0.642 -0.012 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.611 0.738 0.275 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.244 1.985 0.316 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.364 -0.641 -0.039 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.396 -0.830 1.002 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.118 -2.195 0.835 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -2.163 -3.362 1.115 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.732 -2.415 -0.503 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.191 -2.480 -0.395 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.290 -1.406 -1.503 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.577 -1.890 -2.931 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -1.771 -1.078 -1.398 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 21 ATOM 17 C LIG 1 3.139 8.246 0.239 0.00 0.00 +0.088 C ATOM 18 C LIG 1 2.443 6.924 0.171 0.00 0.00 +0.126 A ATOM 19 N LIG 1 1.229 6.825 0.739 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 0.638 5.609 0.684 0.00 0.00 +0.123 A ATOM 21 C LIG 1 1.196 4.482 0.102 0.00 0.00 +0.021 A ATOM 22 C LIG 1 2.450 4.715 -0.438 0.00 0.00 +0.123 A ATOM 23 N LIG 1 3.092 5.905 -0.418 0.00 0.00 -0.240 NA ENDBRANCH 1 21 BRANCH 6 24 ATOM 24 N LIG 1 1.264 -0.491 0.502 0.00 0.00 -0.280 N ATOM 25 H LIG 1 0.623 -1.279 0.409 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 2.580 -0.712 0.813 0.00 0.00 +0.250 C ATOM 27 O LIG 1 3.456 0.122 0.996 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 2.888 -2.161 0.975 0.00 0.00 +0.065 A ATOM 29 C LIG 1 2.914 -3.114 -0.129 0.00 0.00 +0.073 A ATOM 30 C LIG 1 3.205 -4.406 0.126 0.00 0.00 +0.083 A ATOM 31 C LIG 1 3.498 -4.859 1.509 0.00 0.00 +0.249 A ATOM 32 O LIG 1 3.748 -6.032 1.752 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 3.468 -3.883 2.473 0.00 0.00 -0.328 N ATOM 34 H LIG 1 3.687 -4.188 3.416 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 3.178 -2.565 2.222 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 2.654 -2.620 -1.518 0.00 0.00 +0.418 C ATOM 37 F LIG 1 1.357 -2.254 -1.679 0.00 0.00 -0.166 F ATOM 38 F LIG 1 2.899 -3.571 -2.458 0.00 0.00 -0.166 F ATOM 39 F LIG 1 3.419 -1.551 -1.843 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 6 24 TORSDOF 5