REMARK Name = BDB041144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.778 -2.426 1.839 0.00 0.00 +0.178 A ATOM 2 C LIG 1 -1.509 -1.312 1.040 0.00 0.00 +0.165 A ATOM 3 N LIG 1 -2.491 -0.574 0.487 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 -3.760 -0.929 0.757 0.00 0.00 +0.169 A ATOM 5 N LIG 1 -4.123 -1.981 1.512 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 -3.114 -2.703 2.040 0.00 0.00 +0.162 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.817 -0.146 0.145 0.00 0.00 +0.102 A ATOM 8 C LIG 1 -5.654 -0.667 -0.842 0.00 0.00 +0.062 A ATOM 9 N LIG 1 -6.647 0.079 -1.396 0.00 0.00 -0.239 NA ATOM 10 C LIG 1 -6.784 1.339 -0.970 0.00 0.00 +0.225 A ATOM 11 N LIG 1 -6.036 1.937 -0.042 0.00 0.00 -0.201 NA ATOM 12 C LIG 1 -5.063 1.173 0.498 0.00 0.00 +0.229 A BRANCH 8 13 ATOM 13 C LIG 1 -5.510 -2.092 -1.351 0.00 0.00 +0.039 C ATOM 14 C LIG 1 -4.309 -2.479 -2.185 0.00 0.00 +0.010 C ATOM 15 C LIG 1 -5.660 -2.392 -2.826 0.00 0.00 +0.010 C ENDBRANCH 8 13 BRANCH 12 16 ATOM 16 O LIG 1 -4.274 1.728 1.492 0.00 0.00 -0.479 OA ATOM 17 C LIG 1 -4.569 3.093 1.766 0.00 0.00 +0.279 C ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 1 19 ATOM 18 C LIG 1 -1.007 -4.306 3.070 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -0.715 -3.108 2.362 0.00 0.00 -0.490 OA ENDBRANCH 1 19 BRANCH 2 20 ATOM 20 N LIG 1 -0.166 -1.009 0.733 0.00 0.00 -0.322 N ATOM 21 H LIG 1 0.402 -1.164 1.563 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 0.041 0.307 0.149 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 C LIG 1 1.527 0.550 -0.003 0.00 0.00 -0.030 A ATOM 24 C LIG 1 2.176 1.528 0.759 0.00 0.00 +0.006 A ATOM 25 C LIG 1 3.551 1.738 0.618 0.00 0.00 +0.012 A ATOM 26 C LIG 1 4.301 0.982 -0.291 0.00 0.00 +0.018 A ATOM 27 C LIG 1 3.658 -0.015 -1.034 0.00 0.00 +0.012 A ATOM 28 C LIG 1 2.283 -0.224 -0.896 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 5.737 1.234 -0.420 0.00 0.00 +0.145 A ATOM 30 N LIG 1 6.409 1.465 -1.601 0.00 0.00 -0.274 N ATOM 31 C LIG 1 7.737 1.645 -1.308 0.00 0.00 +0.116 A ATOM 32 C LIG 1 7.821 1.563 0.061 0.00 0.00 +0.057 A ATOM 33 C LIG 1 9.005 1.696 0.938 0.00 0.00 +0.067 C ATOM 34 N LIG 1 6.577 1.335 0.596 0.00 0.00 -0.233 NA BRANCH 30 35 ATOM 35 C LIG 1 5.814 1.576 -2.917 0.00 0.00 +0.449 C ATOM 36 F LIG 1 5.633 0.349 -3.472 0.00 0.00 -0.185 F ATOM 37 F LIG 1 6.618 2.268 -3.770 0.00 0.00 -0.185 F ENDBRANCH 30 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 2 20 TORSDOF 9