REMARK Name = BDB010327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.255 -2.171 0.206 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.475 -1.112 -0.229 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.701 -1.145 0.495 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.496 -2.172 1.406 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -1.390 -2.563 2.328 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.530 -1.865 2.248 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.833 -0.872 1.393 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.921 -0.469 0.485 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.710 -2.773 1.235 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.570 -2.247 3.228 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.322 -3.245 4.093 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.480 -3.793 4.162 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.414 -3.381 4.855 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.564 -4.189 5.756 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.343 -2.453 4.453 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.745 -1.723 3.374 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 19 ATOM 17 C LIG 1 2.623 -3.369 -2.729 0.00 0.00 +0.028 C ATOM 18 C LIG 1 2.289 -3.736 -1.284 0.00 0.00 +0.073 C ATOM 19 N LIG 1 2.414 -2.524 -0.421 0.00 0.00 -0.298 N ATOM 20 C LIG 1 3.553 -2.753 0.506 0.00 0.00 +0.108 C ATOM 21 C LIG 1 4.369 -3.869 -0.126 0.00 0.00 +0.021 C ATOM 22 C LIG 1 3.288 -4.749 -0.716 0.00 0.00 +0.024 C ENDBRANCH 1 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.232 0.552 -0.411 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -1.467 1.209 -0.493 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.544 1.202 -0.268 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.613 0.353 -0.964 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -3.508 2.583 -0.935 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.739 3.506 -0.699 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -3.756 4.691 -0.656 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -2.673 3.684 -0.222 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 0.798 -0.225 -1.328 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 1.655 1.021 -1.008 0.00 0.00 +0.009 C ATOM 33 C LIG 1 3.100 0.694 -0.628 0.00 0.00 +0.005 C ATOM 34 C LIG 1 3.977 1.951 -0.613 0.00 0.00 +0.003 C ATOM 35 C LIG 1 3.288 3.193 -0.018 0.00 0.00 -0.014 C ATOM 36 C LIG 1 2.951 4.224 -1.099 0.00 0.00 +0.007 C ATOM 37 C LIG 1 2.050 2.814 0.799 0.00 0.00 +0.003 C ATOM 38 C LIG 1 1.029 1.975 0.025 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 7