REMARK Name = BDB053965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.139 -0.567 0.032 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -1.008 -0.339 -0.747 0.00 0.00 +0.022 A ATOM 3 C LIG 1 -2.276 -0.255 -0.129 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -2.335 -0.389 1.260 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -3.652 -0.264 1.631 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -3.984 -0.314 2.584 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -4.452 -0.051 0.537 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -5.840 0.136 0.448 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -6.893 0.132 1.522 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -8.063 0.810 0.794 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -7.912 0.474 -0.697 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -6.430 0.328 -0.810 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -5.637 0.316 -1.927 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -5.971 0.461 -3.342 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -7.084 0.618 -3.799 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -4.796 0.374 -4.018 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -4.720 0.422 -5.021 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -3.732 0.163 -3.192 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -2.578 0.014 -3.535 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -4.260 0.134 -1.830 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -1.204 -0.604 2.057 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -3.617 -0.051 -0.595 0.00 0.00 +0.021 A ATOM 23 C LIG 1 0.037 -0.689 1.419 0.00 0.00 +0.013 A ENDROOT BRANCH 1 24 ATOM 24 C LIG 1 1.456 -0.641 -0.661 0.00 0.00 +0.164 C ATOM 25 O LIG 1 1.630 -0.018 -1.708 0.00 0.00 -0.292 OA BRANCH 24 26 ATOM 26 C LIG 1 2.568 -1.472 -0.060 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 3.660 -0.552 0.470 0.00 0.00 +0.104 C BRANCH 27 30 ATOM 28 C LIG 1 6.322 0.779 1.002 0.00 0.00 +0.162 C ATOM 29 N LIG 1 5.973 -0.590 1.407 0.00 0.00 -0.290 N ATOM 30 C LIG 1 4.875 -1.320 0.946 0.00 0.00 +0.217 C ATOM 31 O LIG 1 4.865 -2.553 0.950 0.00 0.00 -0.276 OA ATOM 32 C LIG 1 7.234 -1.320 1.429 0.00 0.00 +0.108 C ATOM 33 C LIG 1 8.008 -0.745 0.232 0.00 0.00 +0.021 C ATOM 34 C LIG 1 7.245 0.527 -0.183 0.00 0.00 +0.033 C BRANCH 28 38 ATOM 35 N LIG 1 5.305 2.719 -0.168 0.00 0.00 -0.328 N ATOM 36 H LIG 1 5.676 2.404 -1.054 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 4.542 3.384 -0.225 0.00 0.00 +0.145 HD ATOM 38 C LIG 1 5.278 1.907 0.929 0.00 0.00 +0.231 C ATOM 39 O LIG 1 4.465 2.124 1.824 0.00 0.00 -0.274 OA ENDBRANCH 28 38 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 5