REMARK Name = BDB000917 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.414 -1.527 1.717 0.00 0.00 +0.083 A ATOM 2 C LIG 1 2.115 -1.942 2.104 0.00 0.00 +0.149 A ATOM 3 N LIG 1 2.125 -2.724 3.192 0.00 0.00 -0.169 NA ATOM 4 N LIG 1 3.437 -2.804 3.495 0.00 0.00 -0.282 N ATOM 5 H LIG 1 3.716 -3.355 4.301 0.00 0.00 +0.188 HD ATOM 6 C LIG 1 4.243 -2.107 2.643 0.00 0.00 +0.129 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 0.800 -1.549 1.367 0.00 0.00 +0.161 A ATOM 8 N LIG 1 -0.437 -1.969 1.771 0.00 0.00 -0.337 N ATOM 9 H LIG 1 -0.601 -2.562 2.571 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -1.366 -1.446 0.911 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -0.612 -0.713 -0.000 0.00 0.00 +0.090 A ATOM 12 C LIG 1 -1.265 -0.037 -1.039 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -2.661 -0.122 -1.122 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.410 -0.859 -0.188 0.00 0.00 -0.031 A ATOM 15 C LIG 1 -2.759 -1.548 0.852 0.00 0.00 +0.032 A ATOM 16 N LIG 1 0.730 -0.784 0.293 0.00 0.00 -0.226 NA BRANCH 14 17 ATOM 17 C LIG 1 -4.921 -0.947 -0.321 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 -5.573 0.365 -0.441 0.00 0.00 -0.294 NA ATOM 19 C LIG 1 -6.968 0.206 -0.904 0.00 0.00 +0.113 C ATOM 20 C LIG 1 -7.834 1.417 -0.534 0.00 0.00 +0.175 C ATOM 21 O LIG 1 -7.969 1.581 0.885 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 -6.830 1.108 1.617 0.00 0.00 +0.175 C ATOM 23 C LIG 1 -5.524 1.155 0.809 0.00 0.00 +0.113 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 2 7 BRANCH 1 26 ATOM 24 O LIG 1 6.018 -0.627 0.843 0.00 0.00 -0.252 OA ATOM 25 C LIG 1 4.987 -0.313 0.259 0.00 0.00 +0.308 C ATOM 26 N LIG 1 3.720 -0.718 0.637 0.00 0.00 -0.266 N ATOM 27 H LIG 1 2.914 -0.415 0.099 0.00 0.00 +0.156 HD ATOM 28 N LIG 1 4.924 0.491 -0.866 0.00 0.00 -0.267 N ATOM 29 H LIG 1 4.006 0.673 -1.250 0.00 0.00 +0.156 HD BRANCH 28 30 ATOM 30 C LIG 1 5.989 1.102 -1.561 0.00 0.00 +0.070 A ATOM 31 C LIG 1 5.657 1.876 -2.682 0.00 0.00 +0.145 A ATOM 32 F LIG 1 4.369 2.000 -3.040 0.00 0.00 -0.204 F ATOM 33 C LIG 1 6.629 2.523 -3.439 0.00 0.00 +0.040 A ATOM 34 C LIG 1 7.969 2.403 -3.080 0.00 0.00 +0.003 A ATOM 35 C LIG 1 8.319 1.637 -1.967 0.00 0.00 +0.002 A ATOM 36 C LIG 1 7.335 0.989 -1.210 0.00 0.00 +0.026 A ENDBRANCH 28 30 ENDBRANCH 1 26 TORSDOF 5