REMARK Name = BDB039417 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.735 -5.098 0.926 0.00 0.00 +0.150 C ATOM 2 N LIG 1 3.305 -3.772 0.917 0.00 0.00 -0.335 N ATOM 3 C LIG 1 2.583 -2.623 0.714 0.00 0.00 +0.141 A ATOM 4 C LIG 1 3.468 -1.551 0.772 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.948 -0.254 0.588 0.00 0.00 -0.021 A ATOM 6 C LIG 1 1.561 -0.172 0.355 0.00 0.00 +0.034 A ATOM 7 C LIG 1 0.767 -1.324 0.322 0.00 0.00 +0.074 A ATOM 8 C LIG 1 4.760 -2.100 1.012 0.00 0.00 +0.029 A ATOM 9 N LIG 1 1.255 -2.574 0.497 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 4.629 -3.469 1.101 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -0.690 -1.257 0.076 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.494 -0.268 0.684 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -2.856 -0.246 0.422 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -3.907 0.688 0.919 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -5.128 0.128 0.354 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -4.862 -0.912 -0.524 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -5.633 -1.498 -1.258 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -3.423 -1.187 -0.432 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -2.683 -2.173 -1.048 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -1.311 -2.204 -0.781 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -6.390 0.858 0.406 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -6.530 1.812 -0.790 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -5.573 2.364 -1.333 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -7.816 2.129 -1.162 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -7.906 2.785 -1.926 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -8.986 1.762 -0.545 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -10.061 2.244 -0.891 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -8.867 0.820 0.630 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -7.620 -0.043 0.522 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 3.793 0.998 0.618 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 4.645 1.139 -0.568 0.00 0.00 -0.293 NA ATOM 32 C LIG 1 5.598 2.257 -0.458 0.00 0.00 +0.082 C ATOM 33 C LIG 1 5.937 2.620 -1.912 0.00 0.00 +0.022 C ATOM 34 C LIG 1 4.952 1.834 -2.764 0.00 0.00 +0.017 C ATOM 35 C LIG 1 3.877 1.397 -1.790 0.00 0.00 +0.085 C BRANCH 32 36 ATOM 36 C LIG 1 6.860 1.911 0.348 0.00 0.00 +0.174 C BRANCH 36 37 ATOM 37 O LIG 1 7.722 3.043 0.454 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 7.257 3.716 0.979 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 6