REMARK Name = BDB011932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.966 -0.805 0.282 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.173 -0.555 -1.010 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.644 -0.852 -2.113 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.173 -0.190 -0.866 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.505 1.167 -0.437 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.656 1.979 0.370 0.00 0.00 +0.059 A ATOM 7 C LIG 1 -1.057 3.292 0.718 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -2.253 3.840 0.259 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -3.073 3.073 -0.549 0.00 0.00 +0.021 A ATOM 10 N LIG 1 0.540 1.496 0.979 0.00 0.00 -0.266 N ATOM 11 C LIG 1 1.681 2.250 1.246 0.00 0.00 +0.241 C ATOM 12 O LIG 1 2.458 1.967 2.159 0.00 0.00 -0.273 OA ATOM 13 C LIG 1 -2.702 1.765 -0.883 0.00 0.00 +0.026 A ATOM 14 C LIG 1 0.524 0.102 1.418 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 3.335 -1.355 0.757 0.00 0.00 +0.230 C ATOM 16 N LIG 1 2.395 -0.703 -0.008 0.00 0.00 -0.301 N ATOM 17 H LIG 1 2.699 -0.067 -0.751 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 3.022 -2.068 1.710 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 4.795 -1.177 0.278 0.00 0.00 +0.137 C ATOM 20 C LIG 1 5.087 -2.276 -0.743 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 7.088 -1.091 1.133 0.00 0.00 +0.101 C ATOM 22 N LIG 1 5.678 -1.181 1.458 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 5.483 -2.022 2.005 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 8 24 ATOM 24 C LIG 1 -2.633 5.170 0.632 0.00 0.00 +0.099 C ATOM 25 N LIG 1 -2.929 6.248 0.941 0.00 0.00 -0.191 NA ENDBRANCH 8 24 BRANCH 4 26 ATOM 26 C LIG 1 -2.075 -0.930 -1.780 0.00 0.00 +0.153 C BRANCH 26 27 ATOM 27 C LIG 1 -3.406 -1.380 -1.173 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -3.466 -2.143 0.036 0.00 0.00 -0.010 A ATOM 29 C LIG 1 -4.730 -2.415 0.617 0.00 0.00 -0.017 A ATOM 30 C LIG 1 -4.822 -3.113 1.833 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -3.683 -3.588 2.476 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -2.440 -3.385 1.899 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.897 -2.000 -0.030 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -5.841 -1.349 -1.259 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -2.337 -2.681 0.697 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -4.610 -1.059 -1.846 0.00 0.00 +0.125 A BRANCH 36 37 ATOM 37 O LIG 1 -4.486 -0.425 -3.057 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -5.625 -0.426 -3.911 0.00 0.00 +0.277 C ENDBRANCH 36 37 ENDBRANCH 26 27 ENDBRANCH 4 26 BRANCH 11 39 ATOM 39 C LIG 1 2.010 3.395 0.330 0.00 0.00 +0.261 C BRANCH 39 40 ATOM 40 S LIG 1 3.497 3.017 -0.562 0.00 0.00 -0.025 S ATOM 41 O LIG 1 3.773 4.166 -1.407 0.00 0.00 -0.174 OA ATOM 42 O LIG 1 3.340 1.705 -1.169 0.00 0.00 -0.174 OA ATOM 43 C LIG 1 4.800 2.933 0.648 0.00 0.00 +0.194 C ENDBRANCH 39 40 ENDBRANCH 11 39 TORSDOF 9