REMARK Name = BDB034253 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.204 -0.535 -0.246 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.753 -0.071 -1.470 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.352 -0.018 -2.525 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.382 0.407 -1.265 0.00 0.00 +0.042 A ATOM 5 C LIG 1 3.080 0.292 0.090 0.00 0.00 -0.015 A ATOM 6 C LIG 1 1.841 0.684 0.573 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.905 1.190 -0.338 0.00 0.00 +0.121 A ATOM 8 C LIG 1 1.235 1.304 -1.705 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.487 0.912 -2.185 0.00 0.00 +0.017 A ATOM 10 C LIG 1 4.256 -0.256 0.825 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.581 -0.597 -2.810 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.672 -0.730 -1.993 0.00 0.00 +0.219 C ATOM 13 N LIG 1 8.494 0.195 -0.998 0.00 0.00 -0.255 N ATOM 14 H LIG 1 9.105 0.999 -1.042 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 7.521 0.235 -0.033 0.00 0.00 +0.240 C ATOM 16 O LIG 1 7.406 1.217 0.702 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.568 -0.958 0.048 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.061 -2.187 -0.713 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.704 -1.883 -2.054 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -0.356 1.623 -0.035 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -0.854 1.425 1.291 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -2.408 1.498 1.262 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -2.736 2.091 2.635 0.00 0.00 +0.023 C ATOM 24 C LIG 1 -1.689 3.180 2.790 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -0.414 2.569 2.221 0.00 0.00 +0.046 C BRANCH 22 26 ATOM 26 N LIG 1 -3.067 0.201 1.041 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -4.533 0.288 1.020 0.00 0.00 +0.093 C ATOM 28 C LIG 1 -4.938 -1.095 0.496 0.00 0.00 +0.034 C ATOM 29 C LIG 1 -3.849 -1.385 -0.548 0.00 0.00 +0.025 C ATOM 30 C LIG 1 -2.718 -0.403 -0.250 0.00 0.00 +0.085 C BRANCH 28 31 ATOM 31 C LIG 1 -6.356 -1.261 -0.013 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -7.367 -0.326 0.256 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.671 -0.524 -0.207 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.990 -1.667 -0.935 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.007 -2.617 -1.193 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.705 -2.418 -0.730 0.00 0.00 +0.004 A ENDBRANCH 28 31 ENDBRANCH 22 26 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5