REMARK Name = BDB009502 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.933 -0.689 0.379 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.042 -1.095 -0.952 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.035 -1.150 -1.752 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.272 -1.462 -1.492 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.420 -1.430 -0.699 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.340 -1.035 0.642 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.093 -0.660 1.170 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.417 -0.086 2.213 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.361 -0.293 1.004 0.00 0.00 +0.247 C ATOM 10 N LIG 1 1.460 -0.179 0.178 0.00 0.00 -0.308 N ATOM 11 H LIG 1 1.373 -0.489 -0.785 0.00 0.00 +0.149 HD BRANCH 10 12 ATOM 12 C LIG 1 2.798 0.081 0.701 0.00 0.00 +0.076 C ATOM 13 C LIG 1 3.651 0.772 -0.368 0.00 0.00 +0.041 C ATOM 14 C LIG 1 5.140 0.599 -0.095 0.00 0.00 +0.110 C ATOM 15 N LIG 1 5.521 -0.813 -0.037 0.00 0.00 -0.296 N ATOM 16 C LIG 1 6.793 -1.304 -0.361 0.00 0.00 +0.265 C ATOM 17 O LIG 1 6.990 -2.509 -0.542 0.00 0.00 -0.268 OA ATOM 18 C LIG 1 4.467 -1.778 0.267 0.00 0.00 +0.110 C ATOM 19 C LIG 1 3.446 -1.204 1.240 0.00 0.00 +0.041 C BRANCH 16 20 ATOM 20 C LIG 1 7.967 -0.374 -0.498 0.00 0.00 +0.126 A ATOM 21 N LIG 1 7.933 0.818 0.156 0.00 0.00 -0.250 NA ATOM 22 C LIG 1 9.022 1.608 0.046 0.00 0.00 +0.111 A ATOM 23 C LIG 1 10.151 1.272 -0.684 0.00 0.00 +0.020 A ATOM 24 C LIG 1 10.171 0.047 -1.340 0.00 0.00 +0.004 A ATOM 25 C LIG 1 9.066 -0.795 -1.243 0.00 0.00 +0.033 A ENDBRANCH 16 20 ENDBRANCH 10 12 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 -4.580 -0.974 1.505 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -5.339 0.335 1.326 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -6.466 0.408 0.328 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -6.929 -0.717 -0.353 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -6.837 -1.583 0.170 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -8.171 -0.650 -1.121 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -8.242 0.684 -1.858 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -8.085 1.858 -0.885 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -6.992 1.627 0.121 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -6.526 2.791 0.907 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -7.000 3.911 0.743 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -5.558 2.537 1.840 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -5.215 3.324 2.382 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -4.936 1.344 2.041 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5