REMARK Name = BDB006537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.367 0.649 -3.287 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.288 1.020 -2.001 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.188 0.721 -0.687 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.733 1.239 0.227 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.562 1.092 1.615 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.574 0.419 2.076 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.522 -0.089 1.186 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.738 1.846 -0.509 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.328 0.044 -0.197 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.472 1.730 -1.861 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.369 2.284 -2.917 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.712 -0.788 1.749 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.843 -0.793 0.972 0.00 0.00 -0.303 N ATOM 14 H LIG 1 3.907 -0.257 0.114 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 2.663 -1.298 2.863 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.090 -1.412 1.397 0.00 0.00 +0.119 C ATOM 17 C LIG 1 5.036 -2.925 1.185 0.00 0.00 +0.034 C BRANCH 16 18 ATOM 18 C LIG 1 6.257 -0.812 0.621 0.00 0.00 +0.061 A ATOM 19 N LIG 1 5.987 -0.264 -0.596 0.00 0.00 -0.258 NA ATOM 20 C LIG 1 7.029 0.255 -1.277 0.00 0.00 +0.111 A ATOM 21 C LIG 1 8.333 0.257 -0.809 0.00 0.00 +0.023 A ATOM 22 C LIG 1 8.621 -0.312 0.435 0.00 0.00 -0.041 A ATOM 23 C LIG 1 7.545 -0.849 1.155 0.00 0.00 +0.029 A BRANCH 22 24 ATOM 24 C LIG 1 10.022 -0.323 0.994 0.00 0.00 +0.019 C ATOM 25 C LIG 1 10.665 -1.633 1.389 0.00 0.00 +0.009 C ATOM 26 C LIG 1 11.161 -0.896 0.182 0.00 0.00 +0.009 C ENDBRANCH 22 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.877 2.558 0.072 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -4.177 1.798 -0.048 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.297 0.475 0.398 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -5.518 -0.201 0.307 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -6.653 0.431 -0.220 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -6.533 1.757 -0.658 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -5.313 2.435 -0.567 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.934 -0.284 -0.324 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -8.717 -0.641 0.793 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -9.892 -1.395 0.637 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -10.319 -1.772 -0.635 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -9.573 -1.406 -1.751 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -8.392 -0.675 -1.597 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -8.359 -0.269 2.176 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -8.378 -1.014 3.139 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -8.101 1.044 2.297 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -7.894 1.163 3.246 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9