REMARK Name = BDB060744 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.359 -0.878 -0.309 0.00 0.00 +0.125 A ATOM 2 C LIG 1 0.958 -0.591 0.073 0.00 0.00 +0.092 A ATOM 3 C LIG 1 1.896 -0.424 -0.923 0.00 0.00 +0.143 A ATOM 4 O LIG 1 3.232 -0.159 -0.728 0.00 0.00 -0.451 OA ATOM 5 C LIG 1 3.790 -0.076 -2.000 0.00 0.00 +0.176 C ATOM 6 C LIG 1 2.755 -0.295 -3.046 0.00 0.00 +0.231 C ATOM 7 O LIG 1 2.871 -0.298 -4.252 0.00 0.00 -0.283 OA ATOM 8 C LIG 1 5.081 0.140 -2.285 0.00 0.00 +0.058 C ATOM 9 C LIG 1 1.545 -0.519 -2.265 0.00 0.00 +0.068 A ATOM 10 C LIG 1 0.253 -0.777 -2.674 0.00 0.00 +0.019 A ATOM 11 C LIG 1 -0.711 -0.955 -1.674 0.00 0.00 +0.046 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 6.143 0.328 -1.291 0.00 0.00 -0.021 A ATOM 13 C LIG 1 7.366 -0.326 -1.476 0.00 0.00 +0.008 A ATOM 14 C LIG 1 8.408 -0.160 -0.557 0.00 0.00 +0.009 A ATOM 15 C LIG 1 8.262 0.671 0.564 0.00 0.00 -0.018 A ATOM 16 C LIG 1 7.040 1.341 0.728 0.00 0.00 +0.009 A ATOM 17 C LIG 1 5.995 1.177 -0.190 0.00 0.00 +0.008 A BRANCH 15 18 ATOM 18 C LIG 1 9.355 0.833 1.538 0.00 0.00 -0.018 A ATOM 19 C LIG 1 10.650 1.188 1.125 0.00 0.00 +0.008 A ATOM 20 C LIG 1 11.688 1.334 2.049 0.00 0.00 +0.001 A ATOM 21 C LIG 1 11.449 1.128 3.405 0.00 0.00 +0.000 A ATOM 22 C LIG 1 10.172 0.778 3.837 0.00 0.00 +0.001 A ATOM 23 C LIG 1 9.136 0.632 2.912 0.00 0.00 +0.008 A ENDBRANCH 15 18 ENDBRANCH 8 12 BRANCH 1 24 ATOM 24 O LIG 1 -1.240 -1.019 0.729 0.00 0.00 -0.487 OA BRANCH 24 25 ATOM 25 C LIG 1 -2.333 -1.923 0.529 0.00 0.00 +0.264 C BRANCH 25 32 ATOM 26 C LIG 1 -5.284 2.158 0.375 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -5.077 0.714 0.020 0.00 0.00 -0.008 A ATOM 28 C LIG 1 -6.043 -0.044 -0.661 0.00 0.00 +0.128 A ATOM 29 C LIG 1 -5.760 -1.358 -1.065 0.00 0.00 -0.008 A ATOM 30 C LIG 1 -6.712 -2.172 -1.893 0.00 0.00 +0.047 C ATOM 31 C LIG 1 -4.554 -1.952 -0.658 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -3.604 -1.236 0.081 0.00 0.00 -0.010 A ATOM 33 C LIG 1 -3.880 0.095 0.415 0.00 0.00 +0.014 A BRANCH 28 34 ATOM 34 O LIG 1 -7.235 0.536 -1.011 0.00 0.00 -0.475 OA BRANCH 34 35 ATOM 35 C LIG 1 -8.311 0.349 -0.071 0.00 0.00 +0.200 C ATOM 36 C LIG 1 -8.788 1.752 0.350 0.00 0.00 +0.067 C ATOM 37 C LIG 1 -9.480 -0.278 -0.857 0.00 0.00 +0.067 C BRANCH 35 38 ATOM 38 C LIG 1 -8.081 -0.523 1.194 0.00 0.00 +0.348 C ATOM 39 O LIG 1 -8.307 -1.719 1.306 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 -7.555 0.150 2.240 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 -7.397 -0.546 2.911 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 28 34 ENDBRANCH 25 32 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9