REMARK Name = BDB034328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.283 -0.022 -0.244 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -2.918 -1.379 -0.225 0.00 0.00 +0.037 A ATOM 3 C LIG 1 -1.656 -1.816 0.157 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -0.687 -0.870 0.561 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.594 -1.350 0.968 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.837 -2.720 0.863 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -0.183 -3.556 0.449 0.00 0.00 +0.113 A ATOM 8 C LIG 1 -1.042 0.499 0.528 0.00 0.00 +0.012 A ATOM 9 N LIG 1 -1.415 -3.133 0.113 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -2.318 0.913 0.135 0.00 0.00 +0.009 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -7.070 0.243 -0.431 0.00 0.00 +0.056 A ATOM 12 C LIG 1 -7.218 1.198 -1.449 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -6.096 1.759 -2.078 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -4.814 1.356 -1.667 0.00 0.00 +0.021 A ATOM 15 C LIG 1 -4.632 0.396 -0.658 0.00 0.00 -0.017 A ATOM 16 C LIG 1 -5.776 -0.153 -0.055 0.00 0.00 +0.021 A BRANCH 11 18 ATOM 17 F LIG 1 -8.671 -1.525 -0.392 0.00 0.00 -0.166 F ATOM 18 C LIG 1 -8.279 -0.378 0.227 0.00 0.00 +0.417 C ATOM 19 F LIG 1 -9.367 0.442 0.221 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -8.069 -0.705 1.531 0.00 0.00 -0.166 F ENDBRANCH 11 18 BRANCH 13 21 ATOM 21 C LIG 1 -6.256 2.805 -3.156 0.00 0.00 +0.417 C ATOM 22 F LIG 1 -7.439 2.708 -3.823 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -6.212 4.070 -2.654 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -5.285 2.744 -4.108 0.00 0.00 -0.166 F ENDBRANCH 13 21 ENDBRANCH 1 15 BRANCH 5 25 ATOM 25 N LIG 1 1.588 -0.437 1.364 0.00 0.00 -0.343 N ATOM 26 H LIG 1 1.188 0.299 1.942 0.00 0.00 +0.146 HD BRANCH 25 27 ATOM 27 C LIG 1 2.901 -0.856 1.848 0.00 0.00 +0.103 C BRANCH 27 28 ATOM 28 C LIG 1 3.879 -1.100 0.696 0.00 0.00 +0.034 C BRANCH 28 29 ATOM 29 C LIG 1 4.225 0.197 -0.045 0.00 0.00 +0.083 C BRANCH 29 30 ATOM 30 N LIG 1 5.130 0.018 -1.188 0.00 0.00 -0.309 NA ATOM 31 H LIG 1 4.704 -0.638 -1.842 0.00 0.00 +0.122 HD BRANCH 30 32 ATOM 32 C LIG 1 6.466 -0.472 -0.840 0.00 0.00 +0.155 C BRANCH 32 33 ATOM 33 C LIG 1 7.221 0.455 0.044 0.00 0.00 +0.119 A ATOM 34 O LIG 1 7.488 0.015 1.309 0.00 0.00 -0.467 OA ATOM 35 C LIG 1 8.176 1.005 1.935 0.00 0.00 +0.195 A ATOM 36 C LIG 1 8.353 2.077 1.093 0.00 0.00 +0.041 A ATOM 37 C LIG 1 7.736 1.724 -0.131 0.00 0.00 +0.046 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 TORSDOF 10