REMARK Name = BDB057459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.578 -0.936 -1.094 0.00 0.00 -0.027 A ATOM 2 C LIG 1 0.078 0.309 -0.674 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.260 0.453 -0.286 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -1.808 1.776 0.191 0.00 0.00 +0.265 C ATOM 5 O LIG 1 -2.066 1.795 1.591 0.00 0.00 -0.487 OA ATOM 6 C LIG 1 -3.070 1.021 2.115 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -3.781 -0.024 1.490 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -3.522 -0.457 0.085 0.00 0.00 -0.000 C ATOM 9 C LIG 1 -4.533 -0.565 -0.819 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -5.995 -0.295 -0.567 0.00 0.00 +0.048 C ATOM 11 C LIG 1 -4.693 -0.768 2.267 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -4.949 -0.443 3.601 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -4.273 0.614 4.195 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -3.333 1.331 3.459 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -2.114 -0.659 -0.332 0.00 0.00 -0.010 A ATOM 16 C LIG 1 -1.626 -1.904 -0.743 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -0.292 -2.037 -1.133 0.00 0.00 +0.006 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 -4.295 -0.963 -2.231 0.00 0.00 +0.179 A ATOM 19 N LIG 1 -3.446 -0.269 -2.985 0.00 0.00 -0.272 N ATOM 20 H LIG 1 -2.840 0.487 -2.724 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -3.423 -0.864 -4.186 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -2.714 -0.547 -5.127 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -4.324 -1.897 -4.177 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -4.881 -1.924 -2.860 0.00 0.00 -0.055 NA ENDBRANCH 9 18 BRANCH 1 25 ATOM 25 C LIG 1 2.019 -1.089 -1.526 0.00 0.00 +0.160 C BRANCH 25 27 ATOM 26 C LIG 1 3.406 -1.502 0.568 0.00 0.00 +0.112 A ATOM 27 N LIG 1 2.956 -0.722 -0.479 0.00 0.00 -0.308 N ATOM 28 C LIG 1 3.609 0.482 -0.412 0.00 0.00 +0.161 A ATOM 29 C LIG 1 4.423 0.388 0.708 0.00 0.00 +0.111 A ATOM 30 C LIG 1 5.220 1.492 1.046 0.00 0.00 -0.020 A ATOM 31 C LIG 1 5.126 2.602 0.188 0.00 0.00 +0.028 A ATOM 32 C LIG 1 4.268 2.575 -0.919 0.00 0.00 +0.041 A ATOM 33 C LIG 1 4.190 3.783 -1.810 0.00 0.00 +0.065 C ATOM 34 C LIG 1 6.153 1.510 2.216 0.00 0.00 +0.046 C ATOM 35 N LIG 1 3.478 1.526 -1.253 0.00 0.00 -0.233 NA ATOM 36 N LIG 1 4.287 -0.842 1.300 0.00 0.00 -0.230 NA BRANCH 26 38 ATOM 37 C LIG 1 3.871 -3.910 0.140 0.00 0.00 +0.012 C ATOM 38 C LIG 1 2.968 -2.904 0.836 0.00 0.00 +0.071 C ENDBRANCH 26 38 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 4