REMARK Name = BDB039489 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.755 0.087 -0.072 0.00 0.00 +0.001 A ATOM 2 C LIG 1 2.014 -0.448 -0.427 0.00 0.00 +0.016 A ATOM 3 C LIG 1 3.162 0.297 -0.205 0.00 0.00 -0.017 A ATOM 4 C LIG 1 4.588 -0.049 -0.473 0.00 0.00 +0.144 C ATOM 5 N LIG 1 5.286 1.174 -0.095 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.433 2.104 0.481 0.00 0.00 +0.248 C ATOM 7 O LIG 1 4.720 3.172 0.986 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.076 1.560 0.369 0.00 0.00 +0.042 A ATOM 9 C LIG 1 1.876 2.125 0.747 0.00 0.00 +0.014 A ATOM 10 C LIG 1 0.714 1.377 0.523 0.00 0.00 +0.011 A ENDROOT BRANCH 1 17 ATOM 11 C LIG 1 -0.518 -4.965 0.225 0.00 0.00 +0.150 C ATOM 12 N LIG 1 -1.596 -4.094 -0.179 0.00 0.00 -0.335 N ATOM 13 C LIG 1 -1.477 -2.735 -0.326 0.00 0.00 +0.141 A ATOM 14 C LIG 1 -2.719 -2.241 -0.710 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.841 -0.853 -0.922 0.00 0.00 -0.021 A ATOM 16 C LIG 1 -1.677 -0.091 -0.705 0.00 0.00 +0.034 A ATOM 17 C LIG 1 -0.479 -0.698 -0.308 0.00 0.00 +0.074 A ATOM 18 C LIG 1 -3.598 -3.358 -0.789 0.00 0.00 +0.029 A ATOM 19 N LIG 1 -0.346 -2.033 -0.125 0.00 0.00 -0.229 NA ATOM 20 C LIG 1 -2.878 -4.487 -0.460 0.00 0.00 +0.088 A BRANCH 15 21 ATOM 21 C LIG 1 -4.125 -0.180 -1.356 0.00 0.00 +0.120 C BRANCH 21 22 ATOM 22 N LIG 1 -5.157 -0.158 -0.308 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 -6.481 0.144 -0.849 0.00 0.00 +0.085 C ATOM 24 C LIG 1 -6.752 1.595 -1.254 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -6.539 2.647 -0.165 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -6.828 2.159 1.251 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -5.876 1.083 1.800 0.00 0.00 +0.015 C ATOM 28 C LIG 1 -4.750 0.629 0.863 0.00 0.00 +0.085 C ENDBRANCH 21 22 ENDBRANCH 15 21 ENDBRANCH 1 17 BRANCH 5 29 ATOM 29 C LIG 1 6.734 1.261 0.050 0.00 0.00 +0.163 C ATOM 30 C LIG 1 7.255 0.427 1.233 0.00 0.00 +0.240 C ATOM 31 O LIG 1 6.542 -0.075 2.099 0.00 0.00 -0.273 OA ATOM 32 N LIG 1 8.620 0.256 1.274 0.00 0.00 -0.255 N ATOM 33 H LIG 1 8.952 -0.308 2.046 0.00 0.00 +0.158 HD ATOM 34 C LIG 1 9.466 0.303 0.195 0.00 0.00 +0.219 C ATOM 35 O LIG 1 10.576 -0.220 0.237 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 8.967 1.045 -1.022 0.00 0.00 +0.098 C ATOM 37 C LIG 1 7.473 0.839 -1.217 0.00 0.00 +0.041 C ENDBRANCH 5 29 TORSDOF 4