REMARK Name = BDB009428 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.235 -0.924 0.577 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.413 -2.050 1.374 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.573 -3.092 1.291 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.459 -2.102 2.289 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.344 -1.026 2.396 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.197 0.105 1.575 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.128 0.150 0.664 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.433 0.700 2.286 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.184 0.225 1.180 0.00 0.00 +0.247 C ATOM 10 N LIG 1 3.896 -0.130 0.769 0.00 0.00 -0.295 N ATOM 11 C LIG 1 3.468 -0.030 -0.635 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.245 -0.906 -0.930 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.167 -0.713 0.043 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -0.143 -0.868 -0.405 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.455 -0.918 -1.592 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 1.582 -0.770 1.452 0.00 0.00 +0.127 C ATOM 17 C LIG 1 2.820 0.090 1.736 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 6.320 0.002 0.254 0.00 0.00 +0.039 A ATOM 19 C LIG 1 7.231 1.052 0.061 0.00 0.00 +0.040 A ATOM 20 C LIG 1 8.304 0.795 -0.796 0.00 0.00 +0.067 A ATOM 21 C LIG 1 8.499 -0.428 -1.431 0.00 0.00 +0.089 A ATOM 22 N LIG 1 9.626 -0.398 -2.214 0.00 0.00 -0.236 NA ATOM 23 C LIG 1 10.122 0.809 -2.060 0.00 0.00 +0.197 A ATOM 24 C LIG 1 7.592 -1.475 -1.204 0.00 0.00 +0.030 A ATOM 25 N LIG 1 9.361 1.564 -1.212 0.00 0.00 -0.344 N ATOM 26 H LIG 1 9.547 2.518 -0.938 0.00 0.00 +0.167 HD ATOM 27 C LIG 1 6.506 -1.251 -0.347 0.00 0.00 +0.015 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 28 ATOM 28 C LIG 1 -4.155 1.269 1.693 0.00 0.00 +0.094 C BRANCH 28 29 ATOM 29 C LIG 1 -4.784 1.676 0.366 0.00 0.00 +0.087 A ATOM 30 C LIG 1 -5.859 0.810 -0.236 0.00 0.00 +0.059 A ATOM 31 N LIG 1 -6.336 -0.327 0.404 0.00 0.00 -0.342 N ATOM 32 H LIG 1 -6.194 -0.363 1.408 0.00 0.00 +0.146 HD ATOM 33 C LIG 1 -7.543 -0.998 -0.065 0.00 0.00 +0.102 C ATOM 34 C LIG 1 -7.551 -1.013 -1.592 0.00 0.00 +0.023 C ATOM 35 C LIG 1 -7.378 0.402 -2.162 0.00 0.00 +0.044 C ATOM 36 C LIG 1 -6.327 1.195 -1.434 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -5.825 2.430 -2.075 0.00 0.00 +0.270 A ATOM 38 O LIG 1 -6.256 2.818 -3.157 0.00 0.00 -0.266 OA ATOM 39 N LIG 1 -4.868 3.122 -1.382 0.00 0.00 -0.243 N ATOM 40 H LIG 1 -4.505 3.966 -1.813 0.00 0.00 +0.192 HD ATOM 41 N LIG 1 -4.332 2.766 -0.183 0.00 0.00 -0.174 NA ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 4