REMARK Name = BDB042155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.357 -2.506 -0.222 0.00 0.00 +0.120 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.821 0.107 -0.863 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.019 0.331 -1.976 0.00 0.00 +0.251 C ATOM 4 O LIG 1 5.308 0.966 -2.970 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.748 -0.350 -1.723 0.00 0.00 +0.077 A ATOM 6 C LIG 1 3.796 -0.897 -0.440 0.00 0.00 -0.015 A ATOM 7 C LIG 1 2.712 -1.598 0.068 0.00 0.00 +0.011 A ATOM 8 C LIG 1 1.567 -1.748 -0.737 0.00 0.00 -0.030 A ATOM 9 C LIG 1 1.546 -1.186 -2.037 0.00 0.00 +0.044 A ATOM 10 C LIG 1 2.642 -0.481 -2.530 0.00 0.00 +0.136 A ATOM 11 F LIG 1 2.598 0.041 -3.761 0.00 0.00 -0.205 F ATOM 12 C LIG 1 5.105 -0.580 0.202 0.00 0.00 +0.144 C BRANCH 2 19 ATOM 13 O LIG 1 10.085 2.497 1.602 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 9.234 2.043 0.843 0.00 0.00 +0.219 C ATOM 15 N LIG 1 8.035 2.683 0.658 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.896 3.486 1.257 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.872 2.081 0.233 0.00 0.00 +0.240 C ATOM 18 O LIG 1 5.781 2.528 0.579 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 7.066 0.839 -0.653 0.00 0.00 +0.163 C ATOM 20 C LIG 1 8.161 -0.034 -0.047 0.00 0.00 +0.041 C ATOM 21 C LIG 1 9.448 0.771 0.055 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.837 -1.662 -0.208 0.00 0.00 -0.290 NA ATOM 23 C LIG 1 -2.039 -2.356 0.379 0.00 0.00 +0.073 C ATOM 24 C LIG 1 -3.341 -1.596 0.003 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -3.151 -0.143 0.034 0.00 0.00 -0.289 NA ATOM 26 C LIG 1 -1.977 0.358 0.761 0.00 0.00 +0.104 C ATOM 27 C LIG 1 -1.546 -1.932 1.784 0.00 0.00 +0.040 C ATOM 28 C LIG 1 -0.921 -0.756 0.994 0.00 0.00 +0.073 C BRANCH 25 29 ATOM 29 C LIG 1 -4.305 0.753 -0.068 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -4.974 1.168 1.252 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -5.593 2.432 1.323 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.234 2.858 2.488 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.275 2.027 3.603 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.678 0.771 3.552 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.036 0.344 2.386 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -5.293 0.315 -1.157 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -4.963 0.534 -2.507 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -5.824 0.134 -3.531 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.026 -0.497 -3.222 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -7.364 -0.735 -1.892 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -6.503 -0.338 -0.866 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 25 29 ENDBRANCH 1 22 TORSDOF 6