REMARK Name = BDB010483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.014 -2.939 0.275 0.00 0.00 +0.274 A ATOM 2 N LIG 1 -1.114 -2.930 1.263 0.00 0.00 -0.190 NA ATOM 3 C LIG 1 -0.219 -1.943 1.092 0.00 0.00 +0.186 A ATOM 4 N LIG 1 0.824 -1.730 1.939 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.498 -0.739 1.407 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.868 -0.246 0.278 0.00 0.00 -0.307 N ATOM 7 C LIG 1 -0.243 -1.029 0.045 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -1.254 -1.100 -0.916 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -2.137 -2.109 -0.780 0.00 0.00 -0.195 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.669 -0.206 1.860 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.921 -1.007 1.599 0.00 0.00 +0.132 C ATOM 12 C LIG 1 4.329 -1.804 2.863 0.00 0.00 +0.187 C ATOM 13 O LIG 1 4.675 -0.946 3.970 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 3.962 0.301 3.952 0.00 0.00 +0.179 C ATOM 15 C LIG 1 2.578 0.194 3.300 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 3.902 -1.837 0.320 0.00 0.00 -0.025 A ATOM 17 C LIG 1 3.326 -3.117 0.270 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.307 -3.847 -0.920 0.00 0.00 +0.000 A ATOM 19 C LIG 1 3.869 -3.312 -2.077 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.448 -2.047 -2.047 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.465 -1.314 -0.858 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 S LIG 1 -3.267 -4.204 0.388 0.00 0.00 +0.032 S ATOM 23 O LIG 1 -4.555 -3.547 0.555 0.00 0.00 -0.166 OA ATOM 24 O LIG 1 -3.047 -5.155 -0.691 0.00 0.00 -0.166 OA BRANCH 22 26 ATOM 25 C LIG 1 -3.900 -6.160 2.188 0.00 0.00 +0.028 C ATOM 26 C LIG 1 -2.905 -5.048 1.916 0.00 0.00 +0.172 C ENDBRANCH 22 26 ENDBRANCH 1 22 BRANCH 8 27 ATOM 27 N LIG 1 -1.381 -0.211 -1.972 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -1.088 0.727 -1.743 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -2.601 -0.259 -2.788 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -2.274 0.410 -4.125 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -3.777 0.408 -2.061 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -3.741 1.925 -1.714 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -5.275 1.921 -1.878 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -5.102 0.710 -2.820 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 6 35 ATOM 35 C LIG 1 1.369 0.857 -0.521 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 1.130 2.246 0.102 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.356 2.626 0.154 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -0.562 4.017 0.751 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.229 5.082 -0.017 0.00 0.00 -0.014 C ATOM 40 C LIG 1 0.050 6.456 0.626 0.00 0.00 +0.007 C ATOM 41 C LIG 1 1.714 4.708 -0.093 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.919 3.311 -0.677 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9