REMARK Name = BDB008180 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.294 0.448 -0.086 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -1.817 0.181 1.155 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -2.095 1.030 0.675 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -0.615 -0.408 0.823 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -0.333 -1.557 1.166 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.862 -0.566 1.856 0.00 0.00 +0.158 C BRANCH 6 7 ATOM 7 C LIG 1 -3.527 -1.477 0.804 0.00 0.00 +0.231 C ATOM 8 O LIG 1 -4.448 -1.135 0.069 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -2.920 -2.694 0.644 0.00 0.00 -0.328 N ATOM 10 H LIG 1 -3.218 -3.244 -0.150 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 -1.938 -2.773 0.912 0.00 0.00 +0.145 HD ENDBRANCH 6 7 BRANCH 6 13 ATOM 12 C LIG 1 -4.868 -0.308 3.386 0.00 0.00 +0.006 C ATOM 13 C LIG 1 -3.864 0.403 2.489 0.00 0.00 +0.028 C ENDBRANCH 6 13 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 14 ATOM 14 N LIG 1 1.674 0.105 0.225 0.00 0.00 -0.302 N ATOM 15 H LIG 1 2.015 -0.814 -0.064 0.00 0.00 +0.150 HD ATOM 16 C LIG 1 2.355 0.709 1.263 0.00 0.00 +0.237 C ATOM 17 O LIG 1 1.921 1.730 1.801 0.00 0.00 -0.273 OA BRANCH 16 18 ATOM 18 C LIG 1 3.702 -0.050 1.670 0.00 0.00 +0.111 C ATOM 19 C LIG 1 4.369 0.458 2.999 0.00 0.00 +0.035 C ATOM 20 C LIG 1 4.663 -1.006 3.361 0.00 0.00 +0.005 C ATOM 21 C LIG 1 3.515 -1.411 2.423 0.00 0.00 +0.035 C BRANCH 18 22 ATOM 22 N LIG 1 4.716 -0.119 0.557 0.00 0.00 -0.302 N ATOM 23 H LIG 1 5.487 0.539 0.564 0.00 0.00 +0.150 HD ATOM 24 C LIG 1 4.550 -0.904 -0.562 0.00 0.00 +0.211 C ATOM 25 O LIG 1 3.571 -1.621 -0.747 0.00 0.00 -0.276 OA ATOM 26 C LIG 1 5.662 -0.788 -1.569 0.00 0.00 +0.109 C ENDBRANCH 18 22 ENDBRANCH 16 18 ENDBRANCH 1 14 BRANCH 1 27 ATOM 27 C LIG 1 0.012 0.157 -1.568 0.00 0.00 +0.033 C BRANCH 27 28 ATOM 28 C LIG 1 -1.347 0.678 -2.038 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 -1.552 0.457 -3.537 0.00 0.00 +0.115 C BRANCH 29 30 ATOM 30 N LIG 1 -2.879 0.910 -3.929 0.00 0.00 -0.356 N ATOM 31 H LIG 1 -3.610 0.312 -3.558 0.00 0.00 +0.162 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.236 2.209 -4.027 0.00 0.00 +0.188 C ATOM 33 N LIG 1 -4.418 2.654 -3.797 0.00 0.00 -0.269 NA ATOM 34 H LIG 1 -5.028 1.880 -3.527 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 -2.275 3.069 -4.409 0.00 0.00 -0.370 N ATOM 36 H LIG 1 -1.774 2.742 -5.224 0.00 0.00 +0.159 HD ATOM 37 H LIG 1 -2.698 3.974 -4.594 0.00 0.00 +0.159 HD ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 13