REMARK Name = BDB010484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.482 -1.990 1.769 0.00 0.00 +0.274 A ATOM 2 N LIG 1 1.337 -2.647 1.983 0.00 0.00 -0.190 NA ATOM 3 C LIG 1 0.310 -2.048 1.360 0.00 0.00 +0.186 A ATOM 4 N LIG 1 -0.972 -2.509 1.391 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.657 -1.671 0.652 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.873 -0.617 0.230 0.00 0.00 -0.307 N ATOM 7 C LIG 1 0.427 -0.895 0.594 0.00 0.00 +0.129 A ATOM 8 C LIG 1 1.676 -0.308 0.395 0.00 0.00 +0.150 A ATOM 9 N LIG 1 2.712 -0.874 1.044 0.00 0.00 -0.195 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.972 -1.773 0.302 0.00 0.00 -0.289 N ATOM 11 C LIG 1 -3.197 -2.760 -0.813 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -4.648 -3.308 -0.772 0.00 0.00 +0.187 C ATOM 13 O LIG 1 -4.944 -4.033 0.434 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 -4.208 -3.546 1.570 0.00 0.00 +0.179 C ATOM 15 C LIG 1 -3.865 -2.053 1.463 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 -2.854 -2.123 -2.153 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -1.676 -2.501 -2.819 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -1.319 -1.905 -4.031 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -2.132 -0.924 -4.591 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.301 -0.534 -3.941 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.660 -1.127 -2.728 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 S LIG 1 3.922 -2.627 2.615 0.00 0.00 +0.034 S ATOM 23 O LIG 1 3.501 -3.550 3.658 0.00 0.00 -0.166 OA ATOM 24 O LIG 1 4.869 -3.060 1.596 0.00 0.00 -0.166 OA BRANCH 22 26 ATOM 25 C LIG 1 5.917 -1.536 4.125 0.00 0.00 +0.032 C ATOM 26 C LIG 1 4.604 -1.175 3.431 0.00 0.00 +0.133 C ATOM 27 C LIG 1 3.622 -0.577 4.435 0.00 0.00 +0.032 C ENDBRANCH 22 26 ENDBRANCH 1 22 BRANCH 8 28 ATOM 28 N LIG 1 1.880 0.804 -0.410 0.00 0.00 -0.324 N ATOM 29 H LIG 1 1.202 0.879 -1.157 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 C LIG 1 3.247 1.106 -0.849 0.00 0.00 +0.072 C ATOM 31 C LIG 1 3.270 2.576 -1.272 0.00 0.00 +0.028 C BRANCH 30 32 ATOM 32 C LIG 1 3.679 0.156 -1.974 0.00 0.00 +0.009 C ATOM 33 C LIG 1 4.956 0.443 -2.815 0.00 0.00 +0.005 C ATOM 34 C LIG 1 4.243 -0.258 -3.992 0.00 0.00 +0.001 C ATOM 35 C LIG 1 2.907 0.134 -3.326 0.00 0.00 +0.005 C ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 8 28 BRANCH 6 36 ATOM 36 C LIG 1 -1.357 0.577 -0.440 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 -1.236 1.869 0.395 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -2.238 1.909 1.570 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -3.497 2.703 1.234 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -3.183 4.167 0.874 0.00 0.00 -0.014 C ATOM 41 C LIG 1 -3.324 5.086 2.089 0.00 0.00 +0.007 C ATOM 42 C LIG 1 -1.789 4.334 0.245 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -1.382 3.090 -0.534 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9