REMARK Name = BDB033631 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.700 0.600 0.616 0.00 0.00 +0.004 A ATOM 2 C LIG 1 0.024 1.654 1.165 0.00 0.00 +0.164 A ATOM 3 F LIG 1 -0.519 2.883 1.228 0.00 0.00 -0.202 F ATOM 4 C LIG 1 1.320 1.454 1.638 0.00 0.00 +0.182 A ATOM 5 F LIG 1 1.970 2.518 2.145 0.00 0.00 -0.200 F ATOM 6 C LIG 1 1.958 0.197 1.571 0.00 0.00 +0.104 A ATOM 7 C LIG 1 1.188 -0.878 1.051 0.00 0.00 +0.066 A ATOM 8 C LIG 1 -0.120 -0.665 0.559 0.00 0.00 +0.022 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 1.678 -2.283 0.978 0.00 0.00 +0.285 C ATOM 10 O LIG 1 1.338 -3.054 0.087 0.00 0.00 -0.267 OA ATOM 11 N LIG 1 2.487 -2.859 2.055 0.00 0.00 -0.084 NA ENDBRANCH 7 9 BRANCH 1 12 ATOM 12 C LIG 1 -2.019 0.833 0.110 0.00 0.00 +0.056 C BRANCH 12 16 ATOM 13 C LIG 1 -5.634 0.929 -0.760 0.00 0.00 +0.175 A ATOM 14 C LIG 1 -4.424 0.418 -0.299 0.00 0.00 +0.168 A ATOM 15 F LIG 1 -4.334 -0.791 0.272 0.00 0.00 -0.202 F ATOM 16 C LIG 1 -3.301 1.237 -0.383 0.00 0.00 +0.006 A ATOM 17 C LIG 1 -3.424 2.521 -0.915 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -4.677 2.947 -1.318 0.00 0.00 +0.113 A ATOM 19 N LIG 1 -5.790 2.193 -1.229 0.00 0.00 -0.236 NA BRANCH 13 20 ATOM 20 N LIG 1 -6.897 0.286 -0.664 0.00 0.00 -0.186 N ATOM 21 H LIG 1 -7.598 0.883 -1.102 0.00 0.00 +0.176 HD BRANCH 20 22 ATOM 22 S LIG 1 -7.059 -1.266 -1.409 0.00 0.00 +0.128 S ATOM 23 O LIG 1 -6.111 -1.206 -2.521 0.00 0.00 -0.137 OA ATOM 24 O LIG 1 -8.466 -1.179 -1.809 0.00 0.00 -0.137 OA BRANCH 22 26 ATOM 25 C LIG 1 -7.031 -3.688 -0.422 0.00 0.00 +0.138 C ATOM 26 N LIG 1 -6.715 -2.254 -0.186 0.00 0.00 -0.062 NA ENDBRANCH 22 26 ENDBRANCH 20 22 ENDBRANCH 13 20 ENDBRANCH 12 16 ENDBRANCH 1 12 BRANCH 6 27 ATOM 27 N LIG 1 3.232 0.074 2.017 0.00 0.00 -0.208 NA BRANCH 27 28 ATOM 28 C LIG 1 4.212 -0.139 1.096 0.00 0.00 +0.089 A ATOM 29 C LIG 1 5.445 -0.672 1.517 0.00 0.00 +0.147 A ATOM 30 F LIG 1 5.646 -0.980 2.811 0.00 0.00 -0.203 F ATOM 31 C LIG 1 6.505 -0.912 0.637 0.00 0.00 +0.044 A ATOM 32 C LIG 1 6.377 -0.616 -0.720 0.00 0.00 -0.036 A ATOM 33 C LIG 1 5.172 -0.071 -1.168 0.00 0.00 +0.006 A ATOM 34 C LIG 1 4.117 0.168 -0.276 0.00 0.00 +0.028 A BRANCH 32 35 ATOM 35 C LIG 1 7.435 -0.837 -1.702 0.00 0.00 +0.021 C ATOM 36 C LIG 1 8.318 -1.961 -1.704 0.00 0.00 +0.005 C ATOM 37 C LIG 1 8.819 -0.568 -1.470 0.00 0.00 +0.005 C ENDBRANCH 32 35 ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 9