REMARK Name = BDB058815 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.562 0.461 0.732 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -1.811 1.780 0.312 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.752 2.561 -0.151 0.00 0.00 +0.050 A ATOM 4 C LIG 1 0.537 2.025 -0.216 0.00 0.00 +0.049 A ATOM 5 C LIG 1 0.790 0.712 0.186 0.00 0.00 +0.122 A ATOM 6 C LIG 1 -0.262 -0.066 0.668 0.00 0.00 +0.057 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.411 -1.187 0.435 0.00 0.00 +0.037 C ATOM 8 C LIG 1 -2.647 -0.402 1.221 0.00 0.00 +0.022 C BRANCH 7 9 ATOM 9 C LIG 1 -4.521 -1.965 1.042 0.00 0.00 +0.333 C ATOM 10 O LIG 1 -5.404 -2.535 0.426 0.00 0.00 -0.245 OA BRANCH 9 11 ATOM 11 O LIG 1 -4.471 -2.031 2.383 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -5.257 -2.568 2.615 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 7 9 BRANCH 7 13 ATOM 13 C LIG 1 -3.295 -1.284 -1.070 0.00 0.00 +0.042 C BRANCH 13 15 ATOM 14 C LIG 1 -2.799 -3.793 -1.234 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -2.342 -2.380 -1.562 0.00 0.00 +0.001 C ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 2 16 ATOM 16 O LIG 1 -3.103 2.223 0.424 0.00 0.00 -0.487 OA BRANCH 16 17 ATOM 17 C LIG 1 -3.492 3.289 -0.440 0.00 0.00 +0.264 C BRANCH 17 18 ATOM 18 C LIG 1 -5.002 3.376 -0.441 0.00 0.00 -0.010 A ATOM 19 C LIG 1 -5.776 2.249 -0.770 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -7.169 2.327 -0.786 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -7.790 3.530 -0.477 0.00 0.00 +0.123 A ATOM 22 F LIG 1 -9.127 3.607 -0.493 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -7.044 4.658 -0.155 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -5.650 4.583 -0.138 0.00 0.00 +0.010 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 2 16 BRANCH 5 25 ATOM 25 O LIG 1 2.093 0.321 0.062 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 2.402 -1.033 0.394 0.00 0.00 +0.264 C BRANCH 26 27 ATOM 27 C LIG 1 3.876 -1.264 0.157 0.00 0.00 -0.010 A ATOM 28 C LIG 1 4.835 -0.448 0.773 0.00 0.00 +0.017 A ATOM 29 C LIG 1 6.209 -0.669 0.569 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.646 -1.721 -0.259 0.00 0.00 +0.071 A ATOM 31 N LIG 1 7.949 -1.970 -0.482 0.00 0.00 -0.252 NA ATOM 32 C LIG 1 8.872 -1.178 0.112 0.00 0.00 +0.039 A ATOM 33 C LIG 1 8.530 -0.120 0.942 0.00 0.00 +0.023 A ATOM 34 C LIG 1 10.315 -1.484 -0.161 0.00 0.00 +0.065 C ATOM 35 C LIG 1 5.684 -2.526 -0.855 0.00 0.00 +0.029 A ATOM 36 C LIG 1 7.183 0.136 1.171 0.00 0.00 +0.012 A ATOM 37 C LIG 1 4.315 -2.312 -0.656 0.00 0.00 +0.009 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 11