REMARK Name = BDB041319 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.513 2.049 -1.632 0.00 0.00 +0.215 A ATOM 2 N LIG 1 1.396 2.780 -1.796 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 0.352 2.468 -0.992 0.00 0.00 +0.126 A ATOM 4 C LIG 1 0.351 1.462 -0.014 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.531 0.698 0.117 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.551 -0.346 1.065 0.00 0.00 +0.026 A ATOM 7 C LIG 1 0.411 -0.549 1.833 0.00 0.00 +0.123 A ATOM 8 N LIG 1 -0.721 0.178 1.726 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 -0.758 1.171 0.817 0.00 0.00 +0.128 A ATOM 10 C LIG 1 2.627 1.020 -0.713 0.00 0.00 +0.076 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.701 -1.221 1.261 0.00 0.00 +0.071 A ATOM 12 N LIG 1 3.000 -2.310 0.477 0.00 0.00 -0.266 N ATOM 13 C LIG 1 2.264 -2.802 -0.666 0.00 0.00 +0.173 C ATOM 14 N LIG 1 4.126 -2.947 0.852 0.00 0.00 -0.176 NA ATOM 15 C LIG 1 4.550 -2.266 1.922 0.00 0.00 +0.061 A ATOM 16 C LIG 1 5.783 -2.681 2.631 0.00 0.00 +0.067 C ATOM 17 C LIG 1 3.694 -1.183 2.220 0.00 0.00 +0.052 A ENDBRANCH 6 11 BRANCH 1 19 ATOM 18 C LIG 1 3.436 3.371 -3.328 0.00 0.00 +0.279 C ATOM 19 O LIG 1 3.626 2.301 -2.408 0.00 0.00 -0.480 OA ENDBRANCH 1 19 BRANCH 9 20 ATOM 20 N LIG 1 -1.933 1.945 0.700 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -1.692 2.902 0.945 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.079 1.493 1.492 0.00 0.00 +0.141 C BRANCH 22 23 ATOM 23 C LIG 1 -3.761 0.284 0.907 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -4.070 0.147 -0.445 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -3.759 1.030 -1.596 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -4.665 0.394 -2.649 0.00 0.00 +0.234 C ATOM 27 O LIG 1 -4.930 -0.977 -2.277 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 -4.713 -0.990 -0.923 0.00 0.00 +0.124 A ATOM 29 C LIG 1 -5.083 -2.032 -0.098 0.00 0.00 +0.049 A ATOM 30 C LIG 1 -4.810 -1.907 1.262 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -4.166 -0.761 1.750 0.00 0.00 +0.129 A ATOM 32 F LIG 1 -3.949 -0.674 3.071 0.00 0.00 -0.205 F ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 9 20 TORSDOF 5