REMARK Name = BDB010339 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.706 -1.044 1.068 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.702 -0.609 0.221 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.480 -1.197 0.627 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.112 -1.918 1.754 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.955 -2.664 2.483 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.191 -2.655 1.990 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.651 -1.988 0.904 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.807 -1.214 0.193 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.210 -1.776 2.037 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 3.211 -3.456 2.704 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.471 -3.470 2.237 0.00 0.00 -0.269 N ATOM 12 H LIG 1 4.820 -2.987 1.427 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 5.182 -4.256 3.054 0.00 0.00 +0.440 A ATOM 14 O LIG 1 6.371 -4.509 2.947 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.348 -4.730 4.035 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.053 -4.176 3.767 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 -3.881 -1.158 -0.156 0.00 0.00 +0.079 C ATOM 18 N LIG 1 -3.001 -0.663 0.935 0.00 0.00 -0.298 N ATOM 19 C LIG 1 -3.785 -0.566 2.174 0.00 0.00 +0.108 C ATOM 20 C LIG 1 -5.195 -0.301 1.671 0.00 0.00 +0.021 C ATOM 21 C LIG 1 -5.284 -1.241 0.483 0.00 0.00 +0.024 C BRANCH 17 23 ATOM 22 C LIG 1 -3.459 -3.718 -0.006 0.00 0.00 +0.009 C ATOM 23 C LIG 1 -3.431 -2.455 -0.874 0.00 0.00 +0.003 C ATOM 24 C LIG 1 -4.279 -2.691 -2.130 0.00 0.00 +0.009 C ENDBRANCH 17 23 ENDBRANCH 1 18 BRANCH 8 25 ATOM 25 N LIG 1 2.262 -0.507 -0.906 0.00 0.00 -0.324 N ATOM 26 H LIG 1 1.736 0.337 -1.082 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.684 -0.355 -1.233 0.00 0.00 +0.072 C ATOM 28 C LIG 1 4.301 -1.678 -1.687 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 4.509 0.294 -0.112 0.00 0.00 +0.009 C ATOM 30 C LIG 1 5.856 0.945 -0.538 0.00 0.00 +0.005 C ATOM 31 C LIG 1 5.120 2.295 -0.625 0.00 0.00 +0.001 C ATOM 32 C LIG 1 4.073 1.717 0.343 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 -0.858 0.333 -0.874 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -0.480 1.781 -0.498 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -1.511 2.399 0.469 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -1.493 3.921 0.403 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.927 4.423 -0.986 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -1.375 5.827 -1.234 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -1.528 3.453 -2.113 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.283 2.645 -1.762 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8