REMARK Name = BDB033654 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.156 0.569 -1.161 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.328 1.945 -1.409 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.732 2.778 -2.074 0.00 0.00 +0.044 C ATOM 4 C LIG 1 1.504 2.571 -0.976 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.487 1.856 -0.290 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.341 0.483 -0.037 0.00 0.00 -0.039 A ATOM 7 C LIG 1 1.185 -0.149 -0.520 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.127 -0.165 -1.488 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.568 -0.564 -1.389 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -5.024 -1.284 -0.230 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -4.989 -0.605 0.948 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -3.793 -0.328 1.609 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -3.796 0.331 2.841 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -5.012 0.698 3.417 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -6.213 0.400 2.769 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -2.278 -0.822 0.854 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -1.192 -0.417 1.730 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -2.397 -2.202 0.438 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.225 0.156 -0.539 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -6.202 -0.260 1.539 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -3.509 0.546 -1.187 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -5.229 -2.554 -2.835 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.117 -1.586 -2.447 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 3.374 -0.231 0.833 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 4.627 -0.320 -0.027 0.00 0.00 -0.032 A ATOM 26 C LIG 1 5.883 0.291 0.321 0.00 0.00 +0.023 A ATOM 27 C LIG 1 6.882 0.067 -0.610 0.00 0.00 +0.055 A ATOM 28 S LIG 1 6.306 -0.892 -1.905 0.00 0.00 -0.093 S ATOM 29 C LIG 1 4.745 -1.003 -1.225 0.00 0.00 +0.050 A BRANCH 27 30 ATOM 30 C LIG 1 8.269 0.520 -0.615 0.00 0.00 +0.167 C ATOM 31 O LIG 1 9.081 0.260 -1.506 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 8.711 1.362 0.560 0.00 0.00 +0.092 C ENDBRANCH 27 30 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 3.015 -1.602 1.428 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 C LIG 1 1.725 -1.635 2.200 0.00 0.00 +0.306 C ATOM 35 O LIG 1 1.042 -2.637 2.346 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 1.344 -0.450 2.701 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 0.355 -0.517 2.752 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 6 24 TORSDOF 9