REMARK Name = BDB061275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 3.988 2.791 -2.894 0.00 0.00 -0.287 OA ATOM 2 C LIG 1 3.476 2.158 -1.981 0.00 0.00 +0.197 A ATOM 3 C LIG 1 2.471 2.698 -1.034 0.00 0.00 +0.106 A ATOM 4 C LIG 1 1.968 1.841 -0.044 0.00 0.00 +0.151 A ATOM 5 C LIG 1 1.010 2.290 0.888 0.00 0.00 +0.051 A ATOM 6 C LIG 1 0.581 3.621 0.804 0.00 0.00 +0.128 A ATOM 7 C LIG 1 1.069 4.484 -0.176 0.00 0.00 +0.092 A ATOM 8 O LIG 1 2.373 0.529 0.069 0.00 0.00 -0.454 OA ATOM 9 C LIG 1 3.329 0.042 -0.799 0.00 0.00 +0.139 A ATOM 10 C LIG 1 2.012 4.020 -1.094 0.00 0.00 +0.135 A ATOM 11 C LIG 1 3.878 0.755 -1.788 0.00 0.00 +0.098 A ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 3.695 -1.367 -0.568 0.00 0.00 +0.018 A ATOM 13 C LIG 1 5.037 -1.780 -0.541 0.00 0.00 +0.015 A ATOM 14 C LIG 1 5.370 -3.118 -0.308 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.358 -4.047 -0.096 0.00 0.00 +0.117 A ATOM 16 C LIG 1 3.024 -3.661 -0.111 0.00 0.00 +0.046 A ATOM 17 C LIG 1 2.694 -2.324 -0.344 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 4.636 -5.362 0.135 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 5.599 -5.486 0.110 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 9 12 BRANCH 6 20 ATOM 20 O LIG 1 -0.318 4.090 1.722 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -0.758 4.879 1.367 0.00 0.00 +0.292 HD ENDBRANCH 6 20 BRANCH 10 22 ATOM 22 O LIG 1 2.482 4.884 -2.042 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 2.053 5.750 -1.964 0.00 0.00 +0.292 HD ENDBRANCH 10 22 BRANCH 5 24 ATOM 24 C LIG 1 0.437 1.361 1.941 0.00 0.00 +0.127 C BRANCH 24 25 ATOM 25 N LIG 1 -0.902 0.852 1.609 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 -1.565 0.298 2.805 0.00 0.00 +0.100 C ATOM 27 C LIG 1 -2.689 -0.735 2.523 0.00 0.00 +0.100 C ATOM 28 N LIG 1 -3.345 -0.523 1.228 0.00 0.00 -0.296 NA ATOM 29 C LIG 1 -2.350 -0.579 0.136 0.00 0.00 +0.100 C ATOM 30 C LIG 1 -0.913 -0.128 0.520 0.00 0.00 +0.100 C BRANCH 28 31 ATOM 31 C LIG 1 -4.460 -1.453 1.030 0.00 0.00 +0.122 C BRANCH 31 32 ATOM 32 C LIG 1 -5.277 -1.051 -0.153 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.976 0.128 -0.326 0.00 0.00 +0.199 A ATOM 34 O LIG 1 -6.620 0.141 -1.520 0.00 0.00 -0.471 OA ATOM 35 C LIG 1 -6.336 -1.036 -2.132 0.00 0.00 +0.195 A ATOM 36 C LIG 1 -5.519 -1.805 -1.338 0.00 0.00 +0.046 A ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 8