REMARK Name = BDB052510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.077 -1.474 -0.523 0.00 0.00 -0.286 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.398 -2.153 -0.457 0.00 0.00 +0.181 C BRANCH 2 5 ATOM 3 N LIG 1 -3.317 0.097 -0.483 0.00 0.00 -0.284 N ATOM 4 H LIG 1 -2.400 0.234 -0.895 0.00 0.00 +0.155 HD ATOM 5 C LIG 1 -3.526 -1.197 -0.039 0.00 0.00 +0.231 C ATOM 6 O LIG 1 -4.505 -1.622 0.567 0.00 0.00 -0.274 OA BRANCH 3 12 ATOM 7 C LIG 1 -6.721 4.700 -0.039 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -5.850 3.487 -0.180 0.00 0.00 -0.050 A ATOM 9 C LIG 1 -4.578 3.587 -0.752 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -3.736 2.463 -0.866 0.00 0.00 -0.029 A ATOM 11 C LIG 1 -2.380 2.659 -1.488 0.00 0.00 +0.045 C ATOM 12 C LIG 1 -4.171 1.216 -0.371 0.00 0.00 +0.036 A ATOM 13 C LIG 1 -5.441 1.129 0.209 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -6.269 2.252 0.309 0.00 0.00 +0.005 A ENDBRANCH 3 12 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 C LIG 1 -0.573 -1.218 0.846 0.00 0.00 +0.120 C BRANCH 15 16 ATOM 16 C LIG 1 0.684 -0.371 0.922 0.00 0.00 -0.033 A ATOM 17 C LIG 1 0.897 0.720 0.066 0.00 0.00 +0.008 A ATOM 18 C LIG 1 2.047 1.504 0.182 0.00 0.00 +0.046 A ATOM 19 C LIG 1 3.003 1.197 1.146 0.00 0.00 +0.122 A ATOM 20 C LIG 1 2.776 0.162 2.048 0.00 0.00 +0.046 A ATOM 21 C LIG 1 1.627 -0.623 1.931 0.00 0.00 +0.008 A BRANCH 19 22 ATOM 22 O LIG 1 4.094 2.003 1.288 0.00 0.00 -0.475 OA BRANCH 22 23 ATOM 23 C LIG 1 5.298 1.602 0.591 0.00 0.00 +0.200 C ATOM 24 C LIG 1 5.902 0.324 1.186 0.00 0.00 +0.067 C ATOM 25 C LIG 1 5.092 1.477 -0.926 0.00 0.00 +0.067 C BRANCH 23 26 ATOM 26 C LIG 1 6.287 2.756 0.837 0.00 0.00 +0.348 C ATOM 27 O LIG 1 6.092 3.790 1.458 0.00 0.00 -0.247 OA BRANCH 26 28 ATOM 28 O LIG 1 7.503 2.558 0.277 0.00 0.00 -0.478 OA ATOM 29 H LIG 1 7.999 3.368 0.524 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 1 15 BRANCH 1 30 ATOM 30 C LIG 1 -0.130 -2.244 -1.363 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 C LIG 1 0.275 -3.623 -0.882 0.00 0.00 -0.033 A ATOM 32 C LIG 1 -0.508 -4.751 -1.171 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -0.127 -6.017 -0.722 0.00 0.00 +0.000 A ATOM 34 C LIG 1 1.045 -6.174 0.013 0.00 0.00 +0.000 A ATOM 35 C LIG 1 1.841 -5.067 0.296 0.00 0.00 +0.000 A ATOM 36 C LIG 1 1.461 -3.801 -0.152 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 11