REMARK Name = BDB008670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.027 -1.506 2.511 0.00 0.00 +0.051 A ATOM 2 C LIG 1 0.955 -0.498 2.428 0.00 0.00 +0.022 A ATOM 3 C LIG 1 1.714 0.228 3.387 0.00 0.00 +0.042 A ATOM 4 C LIG 1 2.542 1.113 2.720 0.00 0.00 +0.124 A ATOM 5 N LIG 1 2.305 0.948 1.372 0.00 0.00 -0.336 N ATOM 6 C LIG 1 1.344 -0.029 1.175 0.00 0.00 +0.053 A ATOM 7 C LIG 1 0.784 -0.537 0.000 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -0.191 -1.523 0.146 0.00 0.00 +0.064 A ATOM 9 N LIG 1 -0.577 -1.992 1.358 0.00 0.00 -0.254 NA ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 3.518 2.088 3.265 0.00 0.00 +0.432 C ATOM 11 F LIG 1 3.133 3.367 3.031 0.00 0.00 -0.164 F ATOM 12 F LIG 1 3.678 1.960 4.606 0.00 0.00 -0.164 F ATOM 13 F LIG 1 4.745 1.938 2.705 0.00 0.00 -0.164 F ENDBRANCH 4 10 BRANCH 1 15 ATOM 14 C LIG 1 -1.701 -1.243 4.347 0.00 0.00 +0.010 C ATOM 15 C LIG 1 -0.551 -2.075 3.801 0.00 0.00 +0.053 C ENDBRANCH 1 15 BRANCH 8 16 ATOM 16 C LIG 1 -0.855 -2.114 -1.098 0.00 0.00 +0.122 C ATOM 17 C LIG 1 -1.936 -3.162 -0.816 0.00 0.00 +0.035 C BRANCH 16 18 ATOM 18 N LIG 1 -1.286 -1.091 -2.091 0.00 0.00 -0.288 N ATOM 19 C LIG 1 -2.267 -0.107 -1.909 0.00 0.00 +0.246 C ATOM 20 O LIG 1 -2.576 0.649 -2.842 0.00 0.00 -0.273 OA BRANCH 19 21 ATOM 21 C LIG 1 -2.977 0.036 -0.551 0.00 0.00 +0.217 C ATOM 22 O LIG 1 -4.082 -0.883 -0.490 0.00 0.00 -0.365 OA ATOM 23 C LIG 1 -4.753 -0.764 0.773 0.00 0.00 +0.176 C ATOM 24 C LIG 1 -5.295 0.658 0.980 0.00 0.00 +0.109 C ATOM 25 N LIG 1 -4.231 1.671 0.887 0.00 0.00 -0.311 NA ATOM 26 H LIG 1 -4.651 2.600 0.892 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -3.507 1.481 -0.390 0.00 0.00 +0.122 C ENDBRANCH 19 21 BRANCH 18 28 ATOM 28 C LIG 1 -0.791 -1.283 -3.448 0.00 0.00 +0.077 C ATOM 29 C LIG 1 0.665 -1.504 -3.784 0.00 0.00 +0.024 C ATOM 30 C LIG 1 0.012 -0.205 -4.136 0.00 0.00 +0.024 C ENDBRANCH 18 28 ENDBRANCH 16 18 ENDBRANCH 8 16 BRANCH 5 31 ATOM 31 C LIG 1 2.942 1.690 0.287 0.00 0.00 +0.124 C BRANCH 31 32 ATOM 32 C LIG 1 4.114 0.920 -0.321 0.00 0.00 +0.049 C BRANCH 32 33 ATOM 33 C LIG 1 4.699 1.654 -1.520 0.00 0.00 +0.161 C BRANCH 33 34 ATOM 34 O LIG 1 3.693 1.749 -2.527 0.00 0.00 -0.383 OA ATOM 35 C LIG 1 4.175 2.407 -3.693 0.00 0.00 +0.193 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 10