REMARK Name = BDB041169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.592 -0.789 -0.759 0.00 0.00 +0.131 C ATOM 2 N LIG 1 0.440 0.299 0.211 0.00 0.00 -0.312 N ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 1.672 0.713 0.770 0.00 0.00 +0.161 A ATOM 4 C LIG 1 1.701 1.515 1.908 0.00 0.00 +0.181 A ATOM 5 F LIG 1 0.584 1.935 2.520 0.00 0.00 -0.200 F ATOM 6 C LIG 1 2.932 1.853 2.417 0.00 0.00 +0.155 A ATOM 7 N LIG 1 4.097 1.448 1.876 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 3.989 0.676 0.778 0.00 0.00 +0.169 A ATOM 9 N LIG 1 2.826 0.281 0.216 0.00 0.00 -0.209 NA BRANCH 8 10 ATOM 10 C LIG 1 5.215 0.183 0.183 0.00 0.00 +0.102 A ATOM 11 C LIG 1 6.009 -0.781 0.805 0.00 0.00 +0.062 A ATOM 12 N LIG 1 7.161 -1.224 0.236 0.00 0.00 -0.239 NA ATOM 13 C LIG 1 7.502 -0.710 -0.951 0.00 0.00 +0.225 A ATOM 14 N LIG 1 6.814 0.206 -1.633 0.00 0.00 -0.201 NA ATOM 15 C LIG 1 5.679 0.635 -1.044 0.00 0.00 +0.229 A BRANCH 11 16 ATOM 16 C LIG 1 5.635 -1.385 2.149 0.00 0.00 +0.039 C ATOM 17 C LIG 1 4.446 -2.315 2.255 0.00 0.00 +0.010 C ATOM 18 C LIG 1 5.832 -2.863 2.402 0.00 0.00 +0.010 C ENDBRANCH 11 16 BRANCH 15 19 ATOM 19 O LIG 1 4.934 1.610 -1.688 0.00 0.00 -0.479 OA ATOM 20 C LIG 1 5.465 1.998 -2.951 0.00 0.00 +0.279 C ENDBRANCH 15 19 ENDBRANCH 8 10 ENDBRANCH 2 3 BRANCH 2 21 ATOM 21 C LIG 1 -0.377 1.431 -0.259 0.00 0.00 +0.141 C BRANCH 21 22 ATOM 22 C LIG 1 -1.846 1.061 -0.280 0.00 0.00 -0.030 A ATOM 23 C LIG 1 -2.578 1.087 -1.474 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -3.938 0.757 -1.480 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -4.588 0.390 -0.295 0.00 0.00 +0.018 A ATOM 26 C LIG 1 -3.861 0.387 0.901 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -2.503 0.713 0.909 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 -6.010 0.042 -0.272 0.00 0.00 +0.143 A ATOM 29 N LIG 1 -6.628 -0.872 -1.097 0.00 0.00 -0.302 N ATOM 30 C LIG 1 -7.964 -0.894 -0.789 0.00 0.00 +0.122 A ATOM 31 C LIG 1 -8.123 -0.018 0.269 0.00 0.00 +0.162 A ATOM 32 N LIG 1 -6.889 0.531 0.586 0.00 0.00 -0.223 NA BRANCH 31 33 ATOM 33 C LIG 1 -9.381 0.341 1.006 0.00 0.00 +0.436 C ATOM 34 F LIG 1 -9.167 0.620 2.318 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -9.998 1.423 0.463 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -10.287 -0.676 0.972 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 -5.990 -1.729 -2.071 0.00 0.00 +0.339 C ATOM 38 F LIG 1 -5.862 -1.088 -3.262 0.00 0.00 -0.225 F ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9