REMARK Name = BDB049251 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.909 -0.152 -1.472 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.143 0.783 -2.172 0.00 0.00 +0.046 A ATOM 3 C LIG 1 1.168 0.490 -2.555 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.734 -0.753 -2.248 0.00 0.00 -0.043 A ATOM 5 C LIG 1 0.963 -1.688 -1.546 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.351 -1.391 -1.162 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -2.171 0.267 -1.159 0.00 0.00 -0.486 OA BRANCH 7 8 ATOM 8 C LIG 1 -2.974 -0.617 -0.369 0.00 0.00 +0.288 C BRANCH 8 11 ATOM 9 C LIG 1 -3.866 2.573 0.244 0.00 0.00 +0.088 C ATOM 10 C LIG 1 -4.620 1.308 0.210 0.00 0.00 +0.129 A ATOM 11 C LIG 1 -4.295 -0.008 -0.043 0.00 0.00 +0.120 A ATOM 12 N LIG 1 -5.431 -0.787 0.072 0.00 0.00 -0.210 NA ATOM 13 C LIG 1 -6.388 0.073 0.369 0.00 0.00 +0.228 A ATOM 14 O LIG 1 -5.959 1.371 0.470 0.00 0.00 -0.440 OA BRANCH 13 15 ATOM 15 C LIG 1 -7.810 -0.173 0.601 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -8.703 0.865 0.907 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -10.059 0.601 1.124 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -10.538 -0.705 1.037 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -9.665 -1.747 0.734 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -8.310 -1.481 0.517 0.00 0.00 +0.013 A ENDBRANCH 13 15 ENDBRANCH 8 11 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 21 ATOM 21 C LIG 1 3.156 -1.070 -2.648 0.00 0.00 +0.070 C BRANCH 21 22 ATOM 22 C LIG 1 4.189 -0.533 -1.686 0.00 0.00 -0.043 A ATOM 23 C LIG 1 4.825 0.689 -1.929 0.00 0.00 +0.007 A ATOM 24 C LIG 1 5.769 1.186 -1.027 0.00 0.00 +0.046 A ATOM 25 C LIG 1 6.094 0.477 0.132 0.00 0.00 +0.122 A ATOM 26 C LIG 1 5.459 -0.738 0.383 0.00 0.00 +0.046 A ATOM 27 C LIG 1 4.513 -1.238 -0.519 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 O LIG 1 7.032 1.085 0.919 0.00 0.00 -0.478 OA BRANCH 28 29 ATOM 29 C LIG 1 7.468 0.415 2.098 0.00 0.00 +0.278 C ATOM 30 C LIG 1 8.234 1.429 2.942 0.00 0.00 +0.064 C BRANCH 29 31 ATOM 31 C LIG 1 8.380 -0.781 1.834 0.00 0.00 +0.346 C ATOM 32 O LIG 1 8.290 -1.875 2.372 0.00 0.00 -0.247 OA BRANCH 31 33 ATOM 33 O LIG 1 9.356 -0.542 0.935 0.00 0.00 -0.478 OA ATOM 34 H LIG 1 9.827 -1.396 0.849 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 10