REMARK Name = BDB038784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.369 1.003 -0.365 0.00 0.00 +0.163 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.079 -0.359 -0.260 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -3.392 -0.299 0.158 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -3.857 0.600 0.072 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -1.517 -1.412 -0.562 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -4.276 -1.458 -0.008 0.00 0.00 +0.163 C BRANCH 6 7 ATOM 7 C LIG 1 -5.045 -1.220 -1.322 0.00 0.00 +0.231 C ATOM 8 O LIG 1 -5.215 -0.098 -1.798 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -5.564 -2.320 -1.936 0.00 0.00 -0.328 N ATOM 10 H LIG 1 -6.133 -2.176 -2.760 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 -5.604 -3.226 -1.485 0.00 0.00 +0.145 HD ENDBRANCH 6 7 BRANCH 6 12 ATOM 12 C LIG 1 -5.241 -1.572 1.180 0.00 0.00 +0.067 C BRANCH 12 13 ATOM 13 C LIG 1 -6.005 -2.875 1.214 0.00 0.00 -0.045 A ATOM 14 C LIG 1 -5.349 -4.074 1.524 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -6.046 -5.283 1.523 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.404 -5.304 1.213 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -8.068 -4.117 0.911 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -7.373 -2.906 0.913 0.00 0.00 +0.004 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 0.069 0.739 -0.338 0.00 0.00 -0.302 N ATOM 20 H LIG 1 0.372 -0.077 -0.858 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 0.867 1.190 0.693 0.00 0.00 +0.231 C ATOM 22 O LIG 1 0.455 1.919 1.591 0.00 0.00 -0.274 OA BRANCH 21 23 ATOM 23 C LIG 1 2.338 0.735 0.612 0.00 0.00 +0.142 C BRANCH 23 24 ATOM 24 N LIG 1 2.905 1.149 -0.697 0.00 0.00 -0.320 NA ATOM 25 H LIG 1 2.276 0.855 -1.446 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 2.887 2.171 -0.733 0.00 0.00 +0.119 HD ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 2.433 -0.783 0.845 0.00 0.00 +0.063 C BRANCH 27 28 ATOM 28 C LIG 1 3.832 -1.250 1.174 0.00 0.00 -0.045 A ATOM 29 C LIG 1 4.347 -1.093 2.469 0.00 0.00 +0.006 A ATOM 30 C LIG 1 5.649 -1.507 2.767 0.00 0.00 +0.028 A ATOM 31 C LIG 1 6.456 -2.074 1.777 0.00 0.00 +0.068 A ATOM 32 C LIG 1 5.935 -2.255 0.492 0.00 0.00 +0.028 A ATOM 33 C LIG 1 4.637 -1.837 0.187 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 N LIG 1 7.761 -2.476 2.091 0.00 0.00 -0.215 NA ATOM 35 C LIG 1 8.751 -1.733 1.724 0.00 0.00 +0.193 C BRANCH 35 36 ATOM 36 N LIG 1 10.021 -2.102 2.009 0.00 0.00 -0.370 N ATOM 37 H LIG 1 10.627 -2.019 1.200 0.00 0.00 +0.159 HD ATOM 38 H LIG 1 10.025 -3.055 2.362 0.00 0.00 +0.159 HD ENDBRANCH 35 36 BRANCH 35 39 ATOM 39 N LIG 1 8.751 -0.564 1.039 0.00 0.00 -0.370 N ATOM 40 H LIG 1 7.829 -0.143 0.977 0.00 0.00 +0.159 HD ATOM 41 H LIG 1 9.418 0.100 1.417 0.00 0.00 +0.159 HD ENDBRANCH 35 39 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 19 BRANCH 1 42 ATOM 42 C LIG 1 -1.794 1.692 -1.672 0.00 0.00 +0.067 C BRANCH 42 46 ATOM 43 C LIG 1 0.248 5.421 -2.507 0.00 0.00 +0.120 A ATOM 44 C LIG 1 -0.421 5.246 -1.296 0.00 0.00 +0.046 A ATOM 45 C LIG 1 -1.083 4.043 -1.024 0.00 0.00 +0.007 A ATOM 46 C LIG 1 -1.079 2.995 -1.954 0.00 0.00 -0.045 A ATOM 47 C LIG 1 -0.414 3.182 -3.172 0.00 0.00 +0.007 A ATOM 48 C LIG 1 0.245 4.384 -3.441 0.00 0.00 +0.046 A BRANCH 43 50 ATOM 49 C LIG 1 0.957 7.628 -1.981 0.00 0.00 +0.277 C ATOM 50 O LIG 1 0.931 6.540 -2.897 0.00 0.00 -0.495 OA ENDBRANCH 43 50 ENDBRANCH 42 46 ENDBRANCH 1 42 TORSDOF 16