REMARK Name = BDB036511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.596 -0.332 1.607 0.00 0.00 +0.192 A ATOM 2 C LIG 1 -0.373 0.338 1.337 0.00 0.00 +0.109 A ATOM 3 C LIG 1 0.360 -0.592 0.626 0.00 0.00 +0.175 A ATOM 4 C LIG 1 1.648 -0.386 0.139 0.00 0.00 +0.076 A ATOM 5 C LIG 1 2.221 0.867 0.388 0.00 0.00 +0.075 A ATOM 6 C LIG 1 1.480 1.835 1.111 0.00 0.00 +0.187 A ATOM 7 F LIG 1 2.073 3.026 1.308 0.00 0.00 -0.200 F ATOM 8 O LIG 1 -0.375 -1.725 0.476 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 0.179 1.605 1.603 0.00 0.00 +0.171 A ATOM 10 N LIG 1 -1.603 -1.564 1.091 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -2.647 0.240 2.309 0.00 0.00 -0.196 N ATOM 12 H LIG 1 -2.598 1.236 2.518 0.00 0.00 +0.175 HD BRANCH 11 13 ATOM 13 S LIG 1 -4.195 -0.388 2.368 0.00 0.00 +0.081 S ATOM 14 O LIG 1 -5.029 0.664 2.921 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 -4.105 -1.670 3.034 0.00 0.00 -0.150 OA BRANCH 13 17 ATOM 16 C LIG 1 -5.234 -1.765 0.200 0.00 0.00 +0.150 A ATOM 17 C LIG 1 -4.670 -0.577 0.673 0.00 0.00 +0.191 A ATOM 18 C LIG 1 -4.489 0.495 -0.213 0.00 0.00 +0.150 A ATOM 19 C LIG 1 -4.805 0.355 -1.569 0.00 0.00 +0.048 A ATOM 20 C LIG 1 -5.361 -0.834 -2.036 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -5.592 -1.883 -1.149 0.00 0.00 +0.048 A BRANCH 16 23 ATOM 22 C LIG 1 -4.682 -3.903 0.874 0.00 0.00 +0.277 C ATOM 23 O LIG 1 -5.566 -2.792 1.039 0.00 0.00 -0.493 OA ENDBRANCH 16 23 BRANCH 18 24 ATOM 24 O LIG 1 -3.943 1.680 0.211 0.00 0.00 -0.493 OA ATOM 25 C LIG 1 -4.929 2.716 0.232 0.00 0.00 +0.277 C ENDBRANCH 18 24 ENDBRANCH 13 17 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 N LIG 1 3.541 1.205 -0.008 0.00 0.00 -0.297 N ATOM 27 H LIG 1 3.646 2.214 -0.130 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 4.553 0.402 -0.408 0.00 0.00 +0.119 A ATOM 29 N LIG 1 4.739 -0.883 0.037 0.00 0.00 -0.264 N ATOM 30 H LIG 1 4.179 -1.392 0.710 0.00 0.00 +0.190 HD ATOM 31 N LIG 1 5.823 -1.488 -0.480 0.00 0.00 -0.177 NA ATOM 32 C LIG 1 6.368 -0.536 -1.238 0.00 0.00 +0.068 A ATOM 33 C LIG 1 5.639 0.668 -1.210 0.00 0.00 +0.068 A BRANCH 32 34 ATOM 34 C LIG 1 7.683 -0.740 -2.034 0.00 0.00 +0.040 C ATOM 35 C LIG 1 7.835 -1.967 -2.896 0.00 0.00 +0.010 C ATOM 36 C LIG 1 7.663 -0.622 -3.536 0.00 0.00 +0.010 C ENDBRANCH 32 34 ENDBRANCH 26 28 ENDBRANCH 5 26 BRANCH 9 37 ATOM 37 O LIG 1 -0.605 2.485 2.298 0.00 0.00 -0.491 OA ATOM 38 C LIG 1 -0.012 3.712 2.707 0.00 0.00 +0.277 C ENDBRANCH 9 37 TORSDOF 9