REMARK Name = BDB059056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.126 -3.772 0.727 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.990 -3.047 0.057 0.00 0.00 -0.046 A ATOM 3 C LIG 1 1.107 -1.708 -0.362 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.002 -1.078 -0.960 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -1.228 -1.744 -1.144 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -1.325 -3.071 -0.712 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.231 -3.712 -0.123 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 2.382 -0.910 -0.161 0.00 0.00 +0.144 C BRANCH 8 9 ATOM 9 N LIG 1 2.648 -0.584 1.260 0.00 0.00 -0.175 NA ATOM 10 C LIG 1 1.654 0.329 1.858 0.00 0.00 +0.132 C BRANCH 9 11 ATOM 11 S LIG 1 4.275 -0.310 1.664 0.00 0.00 +0.061 S ATOM 12 O LIG 1 5.076 -1.348 1.048 0.00 0.00 -0.153 OA ATOM 13 O LIG 1 4.359 -0.057 3.088 0.00 0.00 -0.153 OA BRANCH 11 14 ATOM 14 C LIG 1 4.645 1.219 0.828 0.00 0.00 +0.105 A ATOM 15 C LIG 1 4.426 2.435 1.483 0.00 0.00 +0.028 A ATOM 16 C LIG 1 4.731 3.630 0.832 0.00 0.00 +0.002 A ATOM 17 C LIG 1 5.264 3.607 -0.458 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.504 2.390 -1.099 0.00 0.00 +0.002 A ATOM 19 C LIG 1 5.202 1.190 -0.455 0.00 0.00 +0.028 A ENDBRANCH 11 14 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 20 ATOM 20 C LIG 1 -2.392 -0.969 -1.763 0.00 0.00 +0.060 C BRANCH 20 21 ATOM 21 C LIG 1 -2.972 0.043 -0.770 0.00 0.00 -0.037 A ATOM 22 C LIG 1 -2.943 1.416 -1.086 0.00 0.00 +0.036 A ATOM 23 C LIG 1 -3.464 2.340 -0.168 0.00 0.00 +0.113 A ATOM 24 N LIG 1 -3.545 3.705 -0.229 0.00 0.00 -0.129 NA ATOM 25 N LIG 1 -4.117 4.133 0.888 0.00 0.00 -0.065 NA ATOM 26 N LIG 1 -4.397 3.051 1.640 0.00 0.00 -0.247 N ATOM 27 C LIG 1 -5.032 3.228 2.918 0.00 0.00 +0.175 C ATOM 28 C LIG 1 -4.005 1.890 1.030 0.00 0.00 +0.089 A ATOM 29 C LIG 1 -4.058 0.538 1.378 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -3.530 -0.373 0.453 0.00 0.00 +0.006 A ENDBRANCH 20 21 BRANCH 20 31 ATOM 31 C LIG 1 -3.532 -1.803 -2.370 0.00 0.00 +0.133 C BRANCH 31 32 ATOM 32 C LIG 1 -3.066 -2.657 -3.513 0.00 0.00 +0.306 C ATOM 33 O LIG 1 -3.166 -3.871 -3.584 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -2.547 -1.950 -4.533 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 -2.307 -2.631 -5.197 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 20 31 ENDBRANCH 5 20 TORSDOF 9