REMARK Name = BDB032184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.320 -1.041 1.738 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -2.256 -0.805 0.748 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -3.499 0.018 0.798 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -4.072 -0.187 -0.528 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -3.225 -0.912 -1.353 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -3.362 -1.165 -2.534 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.092 -1.342 -0.526 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -1.012 -2.128 -0.877 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -0.059 -2.395 0.114 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.219 -1.845 1.412 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -5.170 0.610 -1.060 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -4.755 2.069 -1.319 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -3.595 2.473 -1.327 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -5.793 2.942 -1.552 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -5.515 3.902 -1.708 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.095 2.778 -1.151 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -7.866 3.731 -1.094 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.524 1.370 -0.811 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.395 0.595 -0.150 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -0.562 -0.605 3.943 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -1.568 -0.460 2.946 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 1.161 -3.221 -0.209 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 2.187 -2.368 -0.729 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 3.122 -1.949 0.163 0.00 0.00 +0.405 C ATOM 25 N LIG 1 3.992 -1.129 -0.499 0.00 0.00 -0.251 N ATOM 26 H LIG 1 3.752 -0.998 -1.473 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 3.141 -2.269 1.341 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 5.122 -0.460 0.003 0.00 0.00 +0.040 A ATOM 29 C LIG 1 5.841 0.347 -0.895 0.00 0.00 +0.069 A ATOM 30 C LIG 1 6.978 1.045 -0.477 0.00 0.00 +0.132 A ATOM 31 C LIG 1 7.394 0.932 0.851 0.00 0.00 +0.046 A ATOM 32 C LIG 1 6.687 0.135 1.749 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.554 -0.560 1.325 0.00 0.00 +0.023 A BRANCH 30 34 ATOM 34 O LIG 1 7.763 1.859 -1.244 0.00 0.00 -0.406 OA BRANCH 34 35 ATOM 35 C LIG 1 7.414 2.027 -2.607 0.00 0.00 +0.575 C ATOM 36 F LIG 1 7.447 0.849 -3.266 0.00 0.00 -0.133 F ATOM 37 F LIG 1 8.309 2.857 -3.185 0.00 0.00 -0.133 F ATOM 38 F LIG 1 6.187 2.577 -2.731 0.00 0.00 -0.133 F ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 8