REMARK Name = BDB010440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.160 -1.310 -0.264 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.621 -0.022 -0.243 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.749 -0.126 -0.421 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.970 -1.491 -0.473 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -2.173 -2.066 -0.619 0.00 0.00 -0.209 NA ATOM 6 C LIG 1 -3.167 -1.181 -0.764 0.00 0.00 +0.151 A ATOM 7 N LIG 1 -3.041 0.162 -0.731 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -1.834 0.743 -0.561 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.183 -2.201 -0.370 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 4.327 -3.352 -0.499 0.00 0.00 -0.041 A ATOM 11 C LIG 1 2.972 -2.995 -0.544 0.00 0.00 +0.035 A ATOM 12 C LIG 1 2.584 -1.696 -0.209 0.00 0.00 +0.106 A ATOM 13 N LIG 1 3.475 -0.754 0.178 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 4.774 -1.119 0.239 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.240 -2.384 -0.079 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 5.051 -5.598 0.353 0.00 0.00 +0.012 C ATOM 17 C LIG 1 4.752 -4.756 -0.889 0.00 0.00 +0.013 C ATOM 18 C LIG 1 5.944 -4.767 -1.851 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 8 19 ATOM 19 N LIG 1 -1.728 2.121 -0.546 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -0.986 2.451 0.051 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.893 3.014 -0.534 0.00 0.00 +0.072 C ATOM 22 C LIG 1 -3.707 2.866 0.748 0.00 0.00 +0.028 C BRANCH 21 23 ATOM 23 C LIG 1 -3.720 2.964 -1.825 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -5.012 2.104 -1.983 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -5.584 3.245 -2.845 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -4.635 4.197 -2.094 0.00 0.00 +0.005 C ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 8 19 BRANCH 2 27 ATOM 27 C LIG 1 1.388 1.211 -0.131 0.00 0.00 +0.127 C BRANCH 27 28 ATOM 28 C LIG 1 1.775 1.577 1.318 0.00 0.00 +0.009 C ATOM 29 C LIG 1 0.592 2.096 2.145 0.00 0.00 +0.005 C ATOM 30 C LIG 1 1.018 2.451 3.571 0.00 0.00 +0.003 C ATOM 31 C LIG 1 2.155 3.479 3.581 0.00 0.00 -0.014 C ATOM 32 C LIG 1 2.602 3.765 5.013 0.00 0.00 +0.007 C ATOM 33 C LIG 1 3.335 2.996 2.730 0.00 0.00 +0.003 C ATOM 34 C LIG 1 2.902 2.622 1.313 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 2 27 BRANCH 6 35 ATOM 35 C LIG 1 -4.574 -1.736 -0.885 0.00 0.00 +0.180 C BRANCH 35 36 ATOM 36 N LIG 1 -4.604 -3.145 -1.255 0.00 0.00 -0.301 N ATOM 37 H LIG 1 -4.069 -3.763 -0.648 0.00 0.00 +0.149 HD ATOM 38 C LIG 1 -4.675 -3.525 -2.592 0.00 0.00 +0.318 C ATOM 39 O LIG 1 -4.955 -2.721 -3.484 0.00 0.00 -0.266 OA BRANCH 38 40 ATOM 40 C LIG 1 -4.426 -5.029 -2.851 0.00 0.00 +0.469 C ATOM 41 F LIG 1 -3.969 -5.671 -1.737 0.00 0.00 -0.162 F ATOM 42 F LIG 1 -5.563 -5.682 -3.221 0.00 0.00 -0.162 F ATOM 43 F LIG 1 -3.507 -5.257 -3.829 0.00 0.00 -0.162 F ENDBRANCH 38 40 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 10