REMARK Name = BDB000051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.550 -0.083 0.730 0.00 0.00 -0.313 N ATOM 2 H LIG 1 -0.259 0.701 0.138 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.858 0.477 0.143 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.879 -0.492 0.471 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.273 -1.837 0.588 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.599 -2.247 0.379 0.00 0.00 +0.041 A ATOM 7 N LIG 1 -4.003 -3.611 0.507 0.00 0.00 -0.274 N ATOM 8 C LIG 1 -5.258 -4.054 0.094 0.00 0.00 +0.220 C ATOM 9 C LIG 1 -6.090 -3.063 -0.687 0.00 0.00 +0.101 C ATOM 10 C LIG 1 -5.998 -1.679 -0.087 0.00 0.00 +0.046 C ATOM 11 O LIG 1 -5.665 -5.205 0.257 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -3.088 -4.582 1.089 0.00 0.00 +0.138 C ATOM 13 C LIG 1 -4.558 -1.280 0.056 0.00 0.00 -0.025 A ATOM 14 C LIG 1 -4.188 0.067 -0.053 0.00 0.00 +0.015 A BRANCH 3 20 ATOM 15 C LIG 1 -0.858 4.290 -2.406 0.00 0.00 +0.065 C ATOM 16 C LIG 1 -1.574 3.753 -1.203 0.00 0.00 +0.039 A ATOM 17 N LIG 1 -1.890 4.630 -0.223 0.00 0.00 -0.260 NA ATOM 18 C LIG 1 -2.524 4.143 0.864 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -2.862 2.811 1.028 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -2.534 1.907 0.014 0.00 0.00 -0.013 A ATOM 21 C LIG 1 -1.882 2.398 -1.124 0.00 0.00 +0.031 A ENDBRANCH 3 20 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 C LIG 1 0.516 -0.666 1.427 0.00 0.00 +0.044 A ATOM 23 C LIG 1 1.830 -0.377 1.085 0.00 0.00 +0.071 A ATOM 24 C LIG 1 2.359 0.514 0.052 0.00 0.00 +0.256 C ATOM 25 N LIG 1 3.723 0.469 0.144 0.00 0.00 -0.222 N ATOM 26 C LIG 1 4.128 -0.426 1.096 0.00 0.00 +0.255 C ATOM 27 O LIG 1 5.253 -0.777 1.391 0.00 0.00 -0.270 OA ATOM 28 O LIG 1 1.665 1.161 -0.712 0.00 0.00 -0.269 OA ATOM 29 C LIG 1 2.916 -0.947 1.726 0.00 0.00 +0.051 A ATOM 30 C LIG 1 2.767 -1.846 2.760 0.00 0.00 +0.014 A ATOM 31 C LIG 1 1.462 -2.152 3.148 0.00 0.00 +0.003 A ATOM 32 C LIG 1 0.354 -1.568 2.490 0.00 0.00 +0.024 A BRANCH 25 33 ATOM 33 C LIG 1 4.600 1.120 -0.817 0.00 0.00 +0.171 C ATOM 34 C LIG 1 5.041 0.098 -1.870 0.00 0.00 +0.240 C ATOM 35 O LIG 1 4.415 -0.927 -2.132 0.00 0.00 -0.273 OA ATOM 36 N LIG 1 6.172 0.427 -2.583 0.00 0.00 -0.255 N ATOM 37 H LIG 1 6.459 -0.238 -3.289 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 7.029 1.478 -2.367 0.00 0.00 +0.219 C ATOM 39 O LIG 1 8.038 1.623 -3.051 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 6.630 2.469 -1.297 0.00 0.00 +0.098 C ATOM 41 C LIG 1 5.819 1.799 -0.198 0.00 0.00 +0.041 C ENDBRANCH 25 33 ENDBRANCH 1 22 TORSDOF 4