REMARK Name = BDB035477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.634 -1.183 0.358 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.498 -1.785 0.916 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.688 -2.913 1.332 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.556 -0.766 0.942 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.856 -0.884 1.400 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.684 0.243 1.317 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.174 1.446 0.770 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.847 1.549 0.310 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.050 0.413 0.409 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.374 0.207 0.005 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.240 -1.618 -0.688 0.00 0.00 -0.007 A ATOM 12 C LIG 1 -2.959 -1.068 -0.437 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.898 -1.797 0.134 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.138 -3.132 0.465 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.384 -3.715 0.233 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.413 -2.969 -0.336 0.00 0.00 +0.007 A BRANCH 11 20 ATOM 17 C LIG 1 -6.494 1.254 -3.589 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -5.398 0.304 -3.147 0.00 0.00 +0.120 C ATOM 19 O LIG 1 -5.001 0.576 -1.784 0.00 0.00 -0.358 OA ATOM 20 C LIG 1 -5.426 -0.758 -1.347 0.00 0.00 +0.156 C ATOM 21 C LIG 1 -5.819 -1.121 -2.801 0.00 0.00 +0.079 C BRANCH 20 22 ATOM 22 C LIG 1 -6.670 -0.724 -0.373 0.00 0.00 +0.170 A ATOM 23 N LIG 1 -6.883 0.157 0.649 0.00 0.00 -0.318 N ATOM 24 C LIG 1 -6.034 1.242 1.057 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -8.070 -0.199 1.209 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -8.561 -1.237 0.574 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.677 -1.573 -0.425 0.00 0.00 -0.131 NA ENDBRANCH 20 22 ENDBRANCH 11 20 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.310 2.825 -0.279 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.169 3.236 0.343 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.982 2.686 -1.593 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.173 3.874 -0.211 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.122 0.177 1.786 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 6.028 0.252 0.640 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.856 -0.552 0.036 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.433 0.400 1.043 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.688 1.851 1.538 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.912 1.891 0.599 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.226 0.792 -0.240 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.004 -0.763 1.833 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7