REMARK Name = BDB060741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.831 -1.842 -2.100 0.00 0.00 +0.058 C ATOM 2 C LIG 1 4.533 -1.627 -2.355 0.00 0.00 +0.176 C ATOM 3 C LIG 1 3.943 -1.749 -3.716 0.00 0.00 +0.231 C ATOM 4 O LIG 1 4.476 -2.074 -4.755 0.00 0.00 -0.283 OA ATOM 5 C LIG 1 2.550 -1.376 -3.502 0.00 0.00 +0.068 A ATOM 6 C LIG 1 2.402 -1.087 -2.149 0.00 0.00 +0.143 A ATOM 7 C LIG 1 1.188 -0.688 -1.624 0.00 0.00 +0.092 A ATOM 8 C LIG 1 0.106 -0.578 -2.505 0.00 0.00 +0.125 A ATOM 9 C LIG 1 0.270 -0.875 -3.877 0.00 0.00 +0.046 A ATOM 10 C LIG 1 1.504 -1.282 -4.394 0.00 0.00 +0.019 A ATOM 11 O LIG 1 3.569 -1.231 -1.434 0.00 0.00 -0.451 OA ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 7.775 -1.446 1.702 0.00 0.00 +0.121 A ATOM 13 C LIG 1 8.362 -0.945 0.543 0.00 0.00 +0.046 A ATOM 14 C LIG 1 7.712 -1.079 -0.692 0.00 0.00 +0.011 A ATOM 15 C LIG 1 6.464 -1.706 -0.783 0.00 0.00 -0.021 A ATOM 16 C LIG 1 5.891 -2.228 0.380 0.00 0.00 +0.011 A ATOM 17 C LIG 1 6.540 -2.091 1.610 0.00 0.00 +0.046 A BRANCH 12 18 ATOM 18 O LIG 1 8.282 -1.378 2.968 0.00 0.00 -0.492 OA BRANCH 18 20 ATOM 19 C LIG 1 9.379 0.763 3.328 0.00 0.00 +0.048 C ATOM 20 C LIG 1 9.542 -0.741 3.180 0.00 0.00 +0.225 C ENDBRANCH 18 20 ENDBRANCH 12 18 ENDBRANCH 1 15 BRANCH 8 21 ATOM 21 O LIG 1 -1.161 -0.179 -2.167 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.422 0.038 -0.781 0.00 0.00 +0.264 C BRANCH 22 23 ATOM 23 C LIG 1 -2.867 0.441 -0.624 0.00 0.00 -0.010 A ATOM 24 C LIG 1 -3.217 1.784 -0.441 0.00 0.00 +0.014 A ATOM 25 C LIG 1 -4.556 2.171 -0.276 0.00 0.00 -0.008 A ATOM 26 C LIG 1 -4.860 3.631 -0.106 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -5.551 1.181 -0.243 0.00 0.00 +0.128 A ATOM 28 C LIG 1 -5.232 -0.158 -0.526 0.00 0.00 -0.008 A ATOM 29 C LIG 1 -6.278 -1.229 -0.634 0.00 0.00 +0.047 C ATOM 30 C LIG 1 -3.885 -0.517 -0.690 0.00 0.00 +0.014 A BRANCH 27 31 ATOM 31 O LIG 1 -6.856 1.538 -0.020 0.00 0.00 -0.475 OA BRANCH 31 32 ATOM 32 C LIG 1 -7.274 1.488 1.358 0.00 0.00 +0.200 C ATOM 33 C LIG 1 -8.540 0.608 1.400 0.00 0.00 +0.067 C ATOM 34 C LIG 1 -7.734 2.908 1.746 0.00 0.00 +0.067 C BRANCH 32 35 ATOM 35 C LIG 1 -6.264 1.029 2.447 0.00 0.00 +0.348 C ATOM 36 O LIG 1 -5.431 1.726 3.013 0.00 0.00 -0.247 OA BRANCH 35 37 ATOM 37 O LIG 1 -6.332 -0.287 2.750 0.00 0.00 -0.478 OA ATOM 38 H LIG 1 -5.592 -0.409 3.383 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 10