REMARK Name = BDB027272 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.237 0.670 -0.880 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.169 1.522 -0.562 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.501 2.843 -0.237 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.748 3.370 -0.232 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.766 2.556 -0.581 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.541 1.218 -0.909 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.109 3.176 -0.577 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -5.126 2.767 -1.459 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -6.381 3.374 -1.431 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -7.325 2.959 -2.287 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.653 4.397 -0.535 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.862 4.976 -0.514 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.672 4.831 0.344 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.411 4.226 0.319 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.179 1.165 -0.537 0.00 0.00 -0.327 N ATOM 16 C LIG 1 1.637 0.545 0.720 0.00 0.00 +0.130 C ATOM 17 C LIG 1 3.159 0.161 0.688 0.00 0.00 +0.069 C ATOM 18 C LIG 1 3.887 1.073 -0.324 0.00 0.00 +0.028 C ATOM 19 C LIG 1 3.301 1.039 -1.739 0.00 0.00 +0.021 C ATOM 20 C LIG 1 1.801 0.754 -1.790 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 3.765 0.427 2.031 0.00 0.00 -0.321 NA ATOM 22 H LIG 1 3.598 1.398 2.296 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 3.283 -0.150 2.724 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 17 24 ATOM 24 C LIG 1 3.255 -1.370 0.360 0.00 0.00 +0.235 C ATOM 25 F LIG 1 2.718 -2.052 1.430 0.00 0.00 -0.237 F BRANCH 24 26 ATOM 26 C LIG 1 4.639 -1.873 0.006 0.00 0.00 +0.077 A ATOM 27 N LIG 1 4.941 -1.984 -1.317 0.00 0.00 -0.257 NA ATOM 28 C LIG 1 6.174 -2.437 -1.636 0.00 0.00 +0.111 A ATOM 29 C LIG 1 7.131 -2.791 -0.702 0.00 0.00 +0.020 A ATOM 30 C LIG 1 6.809 -2.675 0.644 0.00 0.00 +0.003 A ATOM 31 C LIG 1 5.547 -2.213 1.006 0.00 0.00 +0.026 A ENDBRANCH 24 26 ENDBRANCH 17 24 ENDBRANCH 2 15 BRANCH 1 32 ATOM 32 C LIG 1 -1.030 -0.786 -1.234 0.00 0.00 +0.161 C BRANCH 32 37 ATOM 33 C LIG 1 -3.472 -3.514 1.941 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -3.178 -2.941 0.692 0.00 0.00 +0.147 A ATOM 35 N LIG 1 -3.777 -3.046 -0.549 0.00 0.00 -0.231 NA ATOM 36 C LIG 1 -3.044 -2.292 -1.341 0.00 0.00 +0.202 A ATOM 37 N LIG 1 -2.030 -1.673 -0.660 0.00 0.00 -0.310 N ATOM 38 C LIG 1 -2.086 -2.089 0.642 0.00 0.00 +0.166 A ATOM 39 N LIG 1 -1.271 -1.750 1.653 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -1.654 -2.352 2.797 0.00 0.00 +0.225 A ATOM 41 N LIG 1 -2.694 -3.190 2.999 0.00 0.00 -0.219 NA BRANCH 33 42 ATOM 42 N LIG 1 -4.534 -4.385 2.148 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -4.824 -4.409 3.117 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -5.255 -4.319 1.439 0.00 0.00 +0.144 HD ENDBRANCH 33 42 ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 8