REMARK Name = BDB006510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.515 1.359 3.037 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.482 1.698 1.956 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.161 2.102 0.623 0.00 0.00 +0.004 A ATOM 4 C LIG 1 2.361 2.319 -0.057 0.00 0.00 +0.050 A ATOM 5 C LIG 1 2.388 2.736 -1.399 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.170 2.931 -2.058 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.044 2.708 -1.408 0.00 0.00 +0.037 A ATOM 8 N LIG 1 3.387 2.047 0.834 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.057 2.307 -0.063 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.865 1.682 2.062 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.717 1.330 3.234 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.304 2.929 -2.171 0.00 0.00 +0.244 C ATOM 13 N LIG 1 -2.402 2.207 -1.755 0.00 0.00 -0.307 N ATOM 14 H LIG 1 -2.261 1.420 -1.136 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -1.324 3.698 -3.125 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -3.657 2.200 -2.505 0.00 0.00 +0.091 C ATOM 17 C LIG 1 -3.568 1.169 -3.632 0.00 0.00 +0.030 C BRANCH 16 18 ATOM 18 C LIG 1 -4.885 1.971 -1.575 0.00 0.00 +0.099 C ATOM 19 N LIG 1 -4.682 0.910 -0.580 0.00 0.00 -0.263 N ATOM 20 C LIG 1 -4.927 -0.414 -0.858 0.00 0.00 +0.403 C ATOM 21 O LIG 1 -5.245 -0.831 -1.964 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 -4.612 1.437 0.773 0.00 0.00 +0.111 C ATOM 23 C LIG 1 -4.471 2.940 0.605 0.00 0.00 +0.021 C ATOM 24 C LIG 1 -5.194 3.207 -0.710 0.00 0.00 +0.026 C BRANCH 20 25 ATOM 25 O LIG 1 -4.769 -1.193 0.243 0.00 0.00 -0.445 OA BRANCH 25 26 ATOM 26 C LIG 1 -5.054 -2.585 0.070 0.00 0.00 +0.269 C BRANCH 26 27 ATOM 27 C LIG 1 -6.444 -2.875 0.572 0.00 0.00 -0.010 A ATOM 28 C LIG 1 -7.532 -2.875 -0.313 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -8.823 -3.122 0.153 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -9.042 -3.363 1.508 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -7.970 -3.354 2.399 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.677 -3.106 1.935 0.00 0.00 +0.007 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 33 ATOM 33 C LIG 1 4.812 2.183 0.527 0.00 0.00 +0.157 C BRANCH 33 34 ATOM 34 C LIG 1 5.505 0.856 0.331 0.00 0.00 -0.028 A ATOM 35 C LIG 1 5.010 -0.109 -0.556 0.00 0.00 +0.006 A ATOM 36 C LIG 1 5.684 -1.321 -0.743 0.00 0.00 +0.009 A ATOM 37 C LIG 1 6.875 -1.603 -0.058 0.00 0.00 -0.018 A ATOM 38 C LIG 1 7.373 -0.627 0.818 0.00 0.00 +0.009 A ATOM 39 C LIG 1 6.703 0.586 1.007 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 7.582 -2.879 -0.256 0.00 0.00 -0.018 A ATOM 41 C LIG 1 7.933 -3.321 -1.542 0.00 0.00 +0.008 A ATOM 42 C LIG 1 8.605 -4.532 -1.730 0.00 0.00 +0.001 A ATOM 43 C LIG 1 8.938 -5.323 -0.633 0.00 0.00 +0.000 A ATOM 44 C LIG 1 8.599 -4.904 0.650 0.00 0.00 +0.001 A ATOM 45 C LIG 1 7.927 -3.692 0.837 0.00 0.00 +0.008 A ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 9