REMARK Name = BDB060754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.523 -0.556 0.124 0.00 0.00 -0.275 N ATOM 2 C LIG 1 -3.851 -0.806 -0.126 0.00 0.00 +0.347 A ATOM 3 O LIG 1 -4.815 -0.345 0.466 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 -3.861 -1.704 -1.189 0.00 0.00 -0.209 N ATOM 5 N LIG 1 -2.575 -2.027 -1.554 0.00 0.00 -0.153 NA ATOM 6 C LIG 1 -1.836 -1.317 -0.747 0.00 0.00 +0.134 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.058 0.284 1.208 0.00 0.00 +0.163 C BRANCH 7 11 ATOM 8 C LIG 1 -0.642 4.171 -0.072 0.00 0.00 +0.120 A ATOM 9 C LIG 1 0.177 3.335 0.684 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -0.277 2.073 1.083 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -1.561 1.630 0.739 0.00 0.00 -0.027 A ATOM 12 C LIG 1 -2.386 2.483 -0.006 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -1.924 3.737 -0.413 0.00 0.00 +0.046 A BRANCH 8 15 ATOM 14 C LIG 1 0.972 5.911 -0.186 0.00 0.00 +0.277 C ATOM 15 O LIG 1 -0.316 5.417 -0.531 0.00 0.00 -0.495 OA ENDBRANCH 8 15 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 16 ATOM 16 C LIG 1 -5.027 -2.358 -1.730 0.00 0.00 +0.184 C BRANCH 16 17 ATOM 17 C LIG 1 -5.355 -3.634 -0.995 0.00 0.00 -0.026 A ATOM 18 C LIG 1 -4.758 -4.845 -1.371 0.00 0.00 +0.006 A ATOM 19 C LIG 1 -5.050 -6.024 -0.681 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -5.929 -6.011 0.407 0.00 0.00 -0.050 A ATOM 21 C LIG 1 -6.269 -7.283 1.125 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -6.526 -4.803 0.784 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -6.234 -3.623 0.096 0.00 0.00 +0.006 A ENDBRANCH 16 17 ENDBRANCH 4 16 BRANCH 6 24 ATOM 24 C LIG 1 -0.335 -1.344 -0.817 0.00 0.00 +0.077 C BRANCH 24 25 ATOM 25 C LIG 1 0.148 -0.524 -2.015 0.00 0.00 +0.012 C BRANCH 25 26 ATOM 26 C LIG 1 1.655 -0.650 -2.252 0.00 0.00 +0.035 C BRANCH 26 27 ATOM 27 C LIG 1 2.487 0.090 -1.233 0.00 0.00 -0.047 A ATOM 28 C LIG 1 2.699 1.469 -1.367 0.00 0.00 +0.007 A ATOM 29 C LIG 1 3.462 2.160 -0.425 0.00 0.00 +0.046 A ATOM 30 C LIG 1 4.028 1.477 0.647 0.00 0.00 +0.122 A ATOM 31 C LIG 1 3.790 0.117 0.815 0.00 0.00 +0.046 A ATOM 32 C LIG 1 3.036 -0.580 -0.132 0.00 0.00 +0.007 A BRANCH 30 33 ATOM 33 O LIG 1 4.710 2.184 1.596 0.00 0.00 -0.475 OA BRANCH 33 34 ATOM 34 C LIG 1 6.138 2.206 1.433 0.00 0.00 +0.200 C ATOM 35 C LIG 1 6.616 3.386 2.299 0.00 0.00 +0.067 C ATOM 36 C LIG 1 6.755 0.926 2.022 0.00 0.00 +0.067 C BRANCH 34 37 ATOM 37 C LIG 1 6.697 2.437 0.009 0.00 0.00 +0.348 C ATOM 38 O LIG 1 7.455 1.704 -0.609 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 6.287 3.594 -0.557 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 6.704 3.576 -1.444 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 13