REMARK Name = BDB056012 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.824 2.921 0.286 0.00 0.00 +0.120 A ATOM 2 N LIG 1 2.259 3.954 0.979 0.00 0.00 -0.263 N ATOM 3 H LIG 1 2.723 4.761 1.374 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 0.930 3.858 1.131 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 0.600 2.719 0.495 0.00 0.00 +0.094 A ATOM 6 C LIG 1 1.764 2.112 -0.054 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.791 2.248 0.430 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.821 2.986 1.032 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -3.148 2.546 0.985 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -3.478 1.359 0.322 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -2.454 0.613 -0.275 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -1.127 1.055 -0.223 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 -4.897 0.864 0.296 0.00 0.00 +0.141 C BRANCH 13 14 ATOM 14 N LIG 1 -5.171 0.015 1.433 0.00 0.00 -0.295 N ATOM 15 H LIG 1 -4.373 -0.408 1.893 0.00 0.00 +0.151 HD ATOM 16 C LIG 1 -6.308 -0.706 1.669 0.00 0.00 +0.305 C ATOM 17 N LIG 1 -7.423 -0.268 1.014 0.00 0.00 -0.252 N ATOM 18 H LIG 1 -7.421 0.669 0.654 0.00 0.00 +0.158 HD ATOM 19 O LIG 1 -6.229 -1.658 2.438 0.00 0.00 -0.252 OA BRANCH 17 20 ATOM 20 C LIG 1 -8.644 -0.915 1.021 0.00 0.00 +0.169 A ATOM 21 N LIG 1 -8.883 -2.143 1.487 0.00 0.00 -0.063 NA ATOM 22 O LIG 1 -10.225 -2.385 1.282 0.00 0.00 -0.357 OA ATOM 23 C LIG 1 -10.801 -1.306 0.684 0.00 0.00 +0.144 A ATOM 24 C LIG 1 -9.830 -0.350 0.491 0.00 0.00 +0.092 A BRANCH 23 25 ATOM 25 C LIG 1 -12.271 -1.411 0.386 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -13.045 -1.735 1.677 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -12.810 -0.087 -0.186 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -12.510 -2.526 -0.646 0.00 0.00 +0.019 C ENDBRANCH 23 25 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 29 ATOM 29 N LIG 1 4.160 2.882 0.051 0.00 0.00 -0.285 N ATOM 30 H LIG 1 4.772 3.530 0.537 0.00 0.00 +0.155 HD BRANCH 29 36 ATOM 31 C LIG 1 4.407 -1.815 -1.043 0.00 0.00 +0.088 C ATOM 32 C LIG 1 5.056 -0.471 -0.938 0.00 0.00 +0.130 A ATOM 33 N LIG 1 6.318 -0.355 -1.379 0.00 0.00 -0.218 NA ATOM 34 C LIG 1 6.893 0.855 -1.315 0.00 0.00 +0.127 A ATOM 35 C LIG 1 6.184 1.943 -0.837 0.00 0.00 +0.087 A ATOM 36 C LIG 1 4.885 1.747 -0.398 0.00 0.00 +0.129 A ATOM 37 N LIG 1 4.315 0.535 -0.454 0.00 0.00 -0.217 NA BRANCH 34 38 ATOM 38 N LIG 1 8.206 1.034 -1.781 0.00 0.00 -0.313 N ATOM 39 C LIG 1 9.163 1.538 -0.774 0.00 0.00 +0.122 C ATOM 40 C LIG 1 9.673 0.402 0.145 0.00 0.00 +0.103 C ATOM 41 N LIG 1 10.299 -0.707 -0.612 0.00 0.00 -0.297 NA ATOM 42 C LIG 1 9.326 -1.218 -1.611 0.00 0.00 +0.103 C ATOM 43 C LIG 1 8.765 -0.108 -2.537 0.00 0.00 +0.122 C BRANCH 41 44 ATOM 44 C LIG 1 10.738 -1.764 0.314 0.00 0.00 +0.112 C BRANCH 44 45 ATOM 45 C LIG 1 11.628 -2.836 -0.333 0.00 0.00 +0.171 C BRANCH 45 46 ATOM 46 O LIG 1 12.058 -3.780 0.645 0.00 0.00 -0.394 OA ATOM 47 H LIG 1 11.268 -4.247 0.965 0.00 0.00 +0.209 HD ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 34 38 ENDBRANCH 29 36 ENDBRANCH 1 29 TORSDOF 11