REMARK Name = BDB024008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.142 -0.976 0.321 0.00 0.00 +0.047 A ATOM 2 C LIG 1 -0.389 -1.255 1.660 0.00 0.00 +0.134 A ATOM 3 F LIG 1 0.550 -0.991 2.577 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.594 -1.809 2.076 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.586 -2.091 1.138 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.376 -1.813 -0.220 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.144 -1.270 -0.617 0.00 0.00 +0.018 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 7.163 2.028 -0.274 0.00 0.00 +0.133 C ATOM 9 N LIG 1 6.323 1.028 0.359 0.00 0.00 -0.292 N ATOM 10 C LIG 1 5.104 1.479 0.859 0.00 0.00 +0.304 C ATOM 11 N LIG 1 4.136 0.490 1.073 0.00 0.00 -0.285 N ATOM 12 C LIG 1 2.907 0.913 1.749 0.00 0.00 +0.117 C ATOM 13 C LIG 1 1.788 1.196 0.763 0.00 0.00 +0.093 C ATOM 14 P LIG 1 1.383 -0.270 -0.209 0.00 0.00 +0.122 P ATOM 15 O LIG 1 1.427 0.062 -1.683 0.00 0.00 -0.316 OA ATOM 16 C LIG 1 2.735 -1.396 0.194 0.00 0.00 +0.093 C ATOM 17 C LIG 1 4.056 -0.649 0.143 0.00 0.00 +0.117 C ATOM 18 O LIG 1 4.884 2.671 1.065 0.00 0.00 -0.252 OA ATOM 19 C LIG 1 7.045 0.004 1.098 0.00 0.00 +0.133 C ENDBRANCH 1 14 BRANCH 6 20 ATOM 20 C LIG 1 -3.444 -2.120 -1.246 0.00 0.00 +0.093 C BRANCH 20 21 ATOM 21 C LIG 1 -4.778 -1.452 -0.938 0.00 0.00 +0.074 A ATOM 22 C LIG 1 -4.987 -0.017 -1.262 0.00 0.00 +0.011 A ATOM 23 C LIG 1 -6.222 0.536 -0.930 0.00 0.00 +0.050 A ATOM 24 C LIG 1 -6.499 1.882 -1.197 0.00 0.00 +0.014 A ATOM 25 C LIG 1 -5.530 2.682 -1.801 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -4.293 2.135 -2.138 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -7.243 -0.314 -0.296 0.00 0.00 +0.272 A ATOM 28 O LIG 1 -8.344 0.129 0.013 0.00 0.00 -0.266 OA ATOM 29 N LIG 1 -6.889 -1.622 -0.077 0.00 0.00 -0.242 N ATOM 30 H LIG 1 -7.583 -2.224 0.357 0.00 0.00 +0.192 HD ATOM 31 C LIG 1 -4.019 0.790 -1.872 0.00 0.00 +0.010 A ATOM 32 N LIG 1 -5.692 -2.191 -0.378 0.00 0.00 -0.175 NA ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 3