REMARK Name = BDB029300 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.824 0.801 0.712 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.240 1.657 -0.255 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.868 1.601 -0.565 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.099 0.665 0.120 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.360 0.364 0.010 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.565 -0.706 0.978 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.631 -1.041 1.623 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.878 -1.866 2.483 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.675 -0.168 1.071 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.020 -0.125 1.389 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.839 -1.301 1.195 0.00 0.00 +0.037 A ATOM 12 C LIG 1 2.971 -0.859 0.481 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.264 -1.413 0.646 0.00 0.00 -0.039 A ATOM 14 C LIG 1 4.382 -2.439 1.599 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.281 -2.897 2.320 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.022 -2.334 2.115 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.560 -0.855 -0.198 0.00 0.00 +0.005 C ATOM 18 C LIG 1 6.572 -1.966 -0.691 0.00 0.00 +0.030 C ATOM 19 C LIG 1 5.750 -2.058 -1.998 0.00 0.00 +0.093 C ATOM 20 C LIG 1 5.291 -0.603 -1.736 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 6.502 -2.283 -3.212 0.00 0.00 +0.066 C ATOM 22 N LIG 1 7.079 -2.493 -4.197 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 6.144 0.314 0.624 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 7.345 1.027 0.103 0.00 0.00 +0.134 A ATOM 25 N LIG 1 7.972 2.052 0.769 0.00 0.00 -0.320 N ATOM 26 C LIG 1 7.612 2.616 2.042 0.00 0.00 +0.151 C ATOM 27 C LIG 1 9.011 2.442 -0.016 0.00 0.00 +0.224 A ATOM 28 N LIG 1 9.033 1.709 -1.103 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 7.988 0.822 -1.028 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 -1.252 2.500 -1.603 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -0.193 3.200 -1.108 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.766 1.800 -2.664 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -2.107 3.425 -2.115 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 -5.307 0.894 1.013 0.00 0.00 +0.119 C BRANCH 34 41 ATOM 35 C LIG 1 -9.955 0.227 0.341 0.00 0.00 +0.039 C ATOM 36 C LIG 1 -8.513 -0.210 0.116 0.00 0.00 +0.130 C ATOM 37 O LIG 1 -8.476 -0.945 -1.115 0.00 0.00 -0.371 OA ATOM 38 C LIG 1 -7.154 -1.114 -1.655 0.00 0.00 +0.130 C ATOM 39 C LIG 1 -7.073 -0.348 -2.973 0.00 0.00 +0.039 C ATOM 40 C LIG 1 -6.029 -0.725 -0.668 0.00 0.00 +0.116 C ATOM 41 N LIG 1 -6.146 0.662 -0.170 0.00 0.00 -0.293 NA ATOM 42 C LIG 1 -7.563 1.006 0.089 0.00 0.00 +0.116 C ENDBRANCH 34 41 ENDBRANCH 1 34 TORSDOF 8