REMARK Name = BDB045545 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.015 -2.237 1.645 0.00 0.00 +0.272 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.737 -1.921 0.876 0.00 0.00 +0.303 C BRANCH 2 3 ATOM 3 O LIG 1 -0.205 -1.312 1.763 0.00 0.00 -0.390 OA BRANCH 3 6 ATOM 4 C LIG 1 -1.988 -0.005 3.206 0.00 0.00 +0.069 C ATOM 5 C LIG 1 -2.283 -0.490 1.800 0.00 0.00 +0.084 C ATOM 6 N LIG 1 -1.417 -1.143 1.079 0.00 0.00 -0.089 NA BRANCH 5 7 ATOM 7 C LIG 1 -3.624 -0.194 1.214 0.00 0.00 -0.001 A ATOM 8 C LIG 1 -4.349 0.941 1.584 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -5.601 1.192 1.011 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -6.152 0.323 0.054 0.00 0.00 -0.018 A ATOM 11 C LIG 1 -5.405 -0.807 -0.316 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -4.153 -1.062 0.253 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 -7.469 0.592 -0.546 0.00 0.00 -0.018 A ATOM 14 C LIG 1 -8.602 0.802 0.258 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -9.852 1.058 -0.312 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -9.991 1.109 -1.696 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -8.880 0.905 -2.512 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -7.631 0.648 -1.941 0.00 0.00 +0.008 A ENDBRANCH 10 13 ENDBRANCH 5 7 ENDBRANCH 3 6 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 O LIG 1 2.720 -1.050 2.021 0.00 0.00 -0.489 OA BRANCH 19 20 ATOM 20 C LIG 1 3.608 -0.501 1.139 0.00 0.00 +0.121 A ATOM 21 C LIG 1 4.313 0.596 1.639 0.00 0.00 +0.046 A ATOM 22 C LIG 1 5.254 1.264 0.852 0.00 0.00 +0.007 A ATOM 23 C LIG 1 5.500 0.845 -0.460 0.00 0.00 -0.042 A ATOM 24 C LIG 1 4.794 -0.258 -0.959 0.00 0.00 +0.007 A ATOM 25 C LIG 1 3.852 -0.924 -0.166 0.00 0.00 +0.046 A BRANCH 23 26 ATOM 26 C LIG 1 6.526 1.548 -1.319 0.00 0.00 +0.083 C BRANCH 26 27 ATOM 27 C LIG 1 7.863 0.879 -1.308 0.00 0.00 +0.058 A ATOM 28 C LIG 1 8.400 0.115 -2.269 0.00 0.00 +0.204 A ATOM 29 N LIG 1 9.652 -0.341 -2.002 0.00 0.00 -0.287 N ATOM 30 H LIG 1 10.205 -0.930 -2.603 0.00 0.00 +0.172 HD ATOM 31 C LIG 1 10.184 0.053 -0.797 0.00 0.00 +0.291 A ATOM 32 O LIG 1 11.284 -0.237 -0.360 0.00 0.00 -0.260 OA ATOM 33 S LIG 1 8.995 1.071 0.019 0.00 0.00 -0.028 S BRANCH 28 34 ATOM 34 O LIG 1 7.808 -0.222 -3.443 0.00 0.00 -0.493 OA ATOM 35 H LIG 1 8.428 -0.787 -3.931 0.00 0.00 +0.294 HD ENDBRANCH 28 34 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10