REMARK Name = BDB036472 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.576 -1.671 -0.064 0.00 0.00 +0.142 A ATOM 2 C LIG 1 3.367 -0.520 0.209 0.00 0.00 +0.078 A ATOM 3 C LIG 1 2.893 0.751 -0.147 0.00 0.00 +0.076 A ATOM 4 C LIG 1 1.643 0.810 -0.758 0.00 0.00 +0.171 A ATOM 5 C LIG 1 0.854 -0.287 -1.039 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -0.305 0.273 -1.640 0.00 0.00 +0.188 A ATOM 7 N LIG 1 -0.218 1.604 -1.717 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 1.005 1.939 -1.163 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 1.319 -1.566 -0.685 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 2.469 -4.062 -0.025 0.00 0.00 +0.277 C ATOM 11 O LIG 1 3.135 -2.862 0.347 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 4.638 -0.719 0.802 0.00 0.00 -0.295 N ATOM 13 H LIG 1 4.681 -1.627 1.259 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 5.744 0.037 0.948 0.00 0.00 +0.145 A ATOM 15 N LIG 1 6.700 -0.272 1.829 0.00 0.00 -0.159 NA ATOM 16 N LIG 1 7.629 0.680 1.666 0.00 0.00 -0.283 N ATOM 17 H LIG 1 8.455 0.650 2.255 0.00 0.00 +0.188 HD ATOM 18 C LIG 1 7.327 1.572 0.684 0.00 0.00 +0.107 A ATOM 19 C LIG 1 6.109 1.172 0.186 0.00 0.00 +0.064 A ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 20 ATOM 20 N LIG 1 -1.396 -0.472 -2.068 0.00 0.00 -0.196 N ATOM 21 H LIG 1 -1.459 -1.449 -1.803 0.00 0.00 +0.175 HD BRANCH 20 22 ATOM 22 S LIG 1 -2.914 0.190 -2.346 0.00 0.00 +0.081 S ATOM 23 O LIG 1 -2.781 1.082 -3.479 0.00 0.00 -0.150 OA ATOM 24 O LIG 1 -3.824 -0.939 -2.406 0.00 0.00 -0.150 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.300 1.083 -0.862 0.00 0.00 +0.191 A ATOM 26 C LIG 1 -3.091 0.469 0.386 0.00 0.00 +0.151 A ATOM 27 C LIG 1 -3.331 1.193 1.561 0.00 0.00 +0.048 A ATOM 28 C LIG 1 -3.839 2.490 1.500 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -4.098 3.075 0.264 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -3.812 2.383 -0.918 0.00 0.00 +0.150 A BRANCH 30 31 ATOM 31 O LIG 1 -4.159 2.974 -2.101 0.00 0.00 -0.493 OA ATOM 32 C LIG 1 -3.236 4.008 -2.450 0.00 0.00 +0.277 C ENDBRANCH 30 31 BRANCH 26 33 ATOM 33 O LIG 1 -2.581 -0.803 0.430 0.00 0.00 -0.487 OA BRANCH 33 34 ATOM 34 C LIG 1 -3.203 -1.704 1.361 0.00 0.00 +0.167 C ATOM 35 C LIG 1 -2.160 -2.112 2.395 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -3.671 -2.922 0.570 0.00 0.00 +0.051 C ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 22 25 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 9