REMARK Name = BDB041110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.283 -1.971 0.511 0.00 0.00 +0.179 A ATOM 2 C LIG 1 -1.600 -0.810 0.881 0.00 0.00 +0.167 A ATOM 3 N LIG 1 -2.275 0.303 1.243 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 -3.622 0.245 1.255 0.00 0.00 +0.162 A ATOM 5 N LIG 1 -4.355 -0.845 0.970 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 -3.658 -1.937 0.606 0.00 0.00 +0.162 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.334 1.449 1.694 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -5.011 2.341 0.822 0.00 0.00 -0.034 A ATOM 9 C LIG 1 -5.686 3.451 1.388 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.683 3.692 2.766 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -5.006 2.828 3.616 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.341 1.722 3.085 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 -5.090 2.205 -0.701 0.00 0.00 +0.014 C ATOM 14 C LIG 1 -3.760 1.921 -1.410 0.00 0.00 +0.012 C ATOM 15 C LIG 1 -6.173 1.208 -1.129 0.00 0.00 +0.012 C ENDBRANCH 8 13 ENDBRANCH 4 7 BRANCH 2 16 ATOM 16 N LIG 1 -0.178 -0.783 0.862 0.00 0.00 -0.311 N ATOM 17 C LIG 1 0.345 -1.576 1.983 0.00 0.00 +0.131 C BRANCH 16 18 ATOM 18 C LIG 1 0.341 0.596 0.806 0.00 0.00 +0.141 C BRANCH 18 19 ATOM 19 C LIG 1 1.810 0.605 0.427 0.00 0.00 -0.030 A ATOM 20 C LIG 1 2.775 1.123 1.305 0.00 0.00 +0.006 A ATOM 21 C LIG 1 4.126 1.130 0.946 0.00 0.00 +0.012 A ATOM 22 C LIG 1 4.543 0.611 -0.285 0.00 0.00 +0.017 A ATOM 23 C LIG 1 3.576 0.115 -1.169 0.00 0.00 +0.012 A ATOM 24 C LIG 1 2.223 0.107 -0.814 0.00 0.00 +0.006 A BRANCH 22 25 ATOM 25 C LIG 1 5.967 0.635 -0.629 0.00 0.00 +0.141 A ATOM 26 N LIG 1 6.699 -0.428 -1.115 0.00 0.00 -0.333 N ATOM 27 C LIG 1 6.246 -1.790 -1.280 0.00 0.00 +0.150 C ATOM 28 C LIG 1 7.985 -0.007 -1.325 0.00 0.00 +0.119 A ATOM 29 C LIG 1 8.021 1.315 -0.913 0.00 0.00 +0.162 A ATOM 30 N LIG 1 6.759 1.683 -0.466 0.00 0.00 -0.224 NA BRANCH 29 31 ATOM 31 C LIG 1 9.186 2.263 -0.900 0.00 0.00 +0.436 C ATOM 32 F LIG 1 10.377 1.601 -0.978 0.00 0.00 -0.164 F ATOM 33 F LIG 1 9.159 3.125 -1.954 0.00 0.00 -0.164 F ATOM 34 F LIG 1 9.239 3.015 0.232 0.00 0.00 -0.164 F ENDBRANCH 29 31 ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 2 16 BRANCH 1 35 ATOM 35 O LIG 1 -1.621 -3.106 0.130 0.00 0.00 -0.484 OA BRANCH 35 37 ATOM 36 C LIG 1 -0.600 -3.250 -2.053 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -1.885 -3.462 -1.243 0.00 0.00 +0.168 C ATOM 38 C LIG 1 -2.307 -4.934 -1.267 0.00 0.00 +0.051 C ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 9