REMARK Name = BDB036540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.277 -0.242 -0.617 0.00 0.00 +0.192 A ATOM 2 C LIG 1 -0.923 -0.485 -0.965 0.00 0.00 +0.109 A ATOM 3 C LIG 1 -0.297 -0.656 0.255 0.00 0.00 +0.175 A ATOM 4 C LIG 1 1.059 -0.922 0.421 0.00 0.00 +0.076 A ATOM 5 C LIG 1 1.826 -1.028 -0.746 0.00 0.00 +0.075 A ATOM 6 C LIG 1 1.198 -0.859 -2.004 0.00 0.00 +0.187 A ATOM 7 F LIG 1 1.984 -0.970 -3.090 0.00 0.00 -0.200 F ATOM 8 O LIG 1 -1.210 -0.519 1.252 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 -0.176 -0.586 -2.153 0.00 0.00 +0.171 A ATOM 10 N LIG 1 -2.452 -0.244 0.707 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -3.279 0.016 -1.540 0.00 0.00 -0.196 N ATOM 12 H LIG 1 -3.051 0.034 -2.533 0.00 0.00 +0.175 HD BRANCH 11 13 ATOM 13 S LIG 1 -4.912 -0.018 -1.191 0.00 0.00 +0.077 S ATOM 14 O LIG 1 -5.182 -1.265 -0.511 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 -5.576 0.319 -2.434 0.00 0.00 -0.150 OA BRANCH 13 17 ATOM 16 C LIG 1 -5.944 1.288 1.034 0.00 0.00 +0.150 A ATOM 17 C LIG 1 -5.143 1.369 -0.110 0.00 0.00 +0.153 A ATOM 18 C LIG 1 -4.483 2.568 -0.422 0.00 0.00 +0.073 A ATOM 19 C LIG 1 -4.625 3.664 0.420 0.00 0.00 +0.160 A ATOM 20 F LIG 1 -3.986 4.804 0.124 0.00 0.00 -0.202 F ATOM 21 C LIG 1 -5.425 3.585 1.554 0.00 0.00 +0.162 A ATOM 22 F LIG 1 -5.568 4.651 2.353 0.00 0.00 -0.202 F ATOM 23 C LIG 1 -6.096 2.407 1.861 0.00 0.00 +0.089 A BRANCH 16 25 ATOM 24 C LIG 1 -6.128 -0.548 2.419 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -6.680 0.172 1.314 0.00 0.00 -0.493 OA ENDBRANCH 16 25 ENDBRANCH 13 17 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 N LIG 1 3.228 -1.245 -0.729 0.00 0.00 -0.297 N ATOM 27 H LIG 1 3.550 -1.688 -1.591 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 4.122 -1.059 0.269 0.00 0.00 +0.119 A ATOM 29 N LIG 1 3.969 -0.153 1.288 0.00 0.00 -0.264 N ATOM 30 H LIG 1 3.203 0.492 1.433 0.00 0.00 +0.190 HD ATOM 31 N LIG 1 4.995 -0.129 2.156 0.00 0.00 -0.177 NA ATOM 32 C LIG 1 5.854 -1.004 1.633 0.00 0.00 +0.068 A ATOM 33 C LIG 1 5.372 -1.605 0.456 0.00 0.00 +0.068 A BRANCH 32 34 ATOM 34 C LIG 1 7.229 -1.323 2.275 0.00 0.00 +0.040 C ATOM 35 C LIG 1 8.491 -1.036 1.501 0.00 0.00 +0.010 C ATOM 36 C LIG 1 8.130 -0.186 2.684 0.00 0.00 +0.010 C ENDBRANCH 32 34 ENDBRANCH 26 28 ENDBRANCH 5 26 BRANCH 9 37 ATOM 37 O LIG 1 -0.858 -0.400 -3.324 0.00 0.00 -0.491 OA ATOM 38 C LIG 1 -0.144 -0.605 -4.539 0.00 0.00 +0.277 C ENDBRANCH 9 37 TORSDOF 8