REMARK Name = BDB058998 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.590 1.418 0.989 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.629 1.768 0.046 0.00 0.00 +0.247 C ATOM 3 O LIG 1 0.610 2.851 -0.533 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.429 0.757 -0.256 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.288 0.996 -1.337 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.322 0.103 -1.639 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.465 -1.045 -0.846 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -1.621 -1.302 0.251 0.00 0.00 -0.013 A ATOM 9 C LIG 1 -0.582 -0.393 0.541 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.327 -0.565 1.732 0.00 0.00 +0.055 C ATOM 11 C LIG 1 1.696 0.040 1.448 0.00 0.00 +0.113 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -1.868 -2.507 1.060 0.00 0.00 -0.015 A ATOM 13 C LIG 1 -2.771 -2.508 2.149 0.00 0.00 -0.040 A ATOM 14 C LIG 1 -3.541 -1.272 2.536 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -2.972 -3.693 2.875 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -2.287 -4.853 2.528 0.00 0.00 +0.124 A ATOM 17 F LIG 1 -2.489 -5.973 3.234 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -1.401 -4.869 1.462 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -1.194 -3.700 0.729 0.00 0.00 +0.011 A ENDBRANCH 8 12 BRANCH 1 20 ATOM 20 C LIG 1 2.725 2.307 1.208 0.00 0.00 +0.143 C BRANCH 20 25 ATOM 21 C LIG 1 6.162 0.915 0.302 0.00 0.00 +0.124 A ATOM 22 C LIG 1 6.192 1.155 -1.077 0.00 0.00 +0.091 A ATOM 23 C LIG 1 5.113 1.761 -1.719 0.00 0.00 +0.124 A ATOM 24 C LIG 1 3.995 2.132 -0.969 0.00 0.00 +0.051 A ATOM 25 C LIG 1 3.945 1.905 0.414 0.00 0.00 -0.023 A ATOM 26 C LIG 1 5.038 1.289 1.043 0.00 0.00 +0.051 A BRANCH 21 28 ATOM 27 C LIG 1 7.334 0.091 2.202 0.00 0.00 +0.277 C ATOM 28 O LIG 1 7.287 0.313 0.798 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 23 29 ATOM 29 O LIG 1 5.024 2.041 -3.055 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 6.177 1.779 -3.845 0.00 0.00 +0.277 C ENDBRANCH 23 29 ENDBRANCH 20 25 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 C LIG 1 -3.256 0.376 -2.796 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 -4.635 0.377 -2.386 0.00 0.00 -0.296 N ATOM 33 C LIG 1 -5.264 1.341 -1.622 0.00 0.00 +0.221 A ATOM 34 N LIG 1 -4.812 2.406 -1.075 0.00 0.00 -0.267 NA ATOM 35 H LIG 1 -3.814 2.508 -1.264 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -6.567 0.839 -1.567 0.00 0.00 -0.235 N ATOM 37 C LIG 1 -7.559 1.282 -0.620 0.00 0.00 +0.176 C ATOM 38 N LIG 1 -6.719 -0.416 -2.175 0.00 0.00 -0.159 NA ATOM 39 C LIG 1 -5.529 -0.619 -2.670 0.00 0.00 +0.224 A ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 7