REMARK Name = BDB010827 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.916 -1.058 0.242 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.547 -1.309 0.154 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.106 -2.502 -0.396 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.251 -2.583 -0.402 0.00 0.00 -0.205 NA ATOM 5 C LIG 1 -1.689 -1.486 0.185 0.00 0.00 +0.180 A ATOM 6 N LIG 1 0.910 -3.470 -0.855 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.199 -3.174 -0.698 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.618 -0.665 0.523 0.00 0.00 -0.317 N ATOM 9 N LIG 1 2.735 -2.044 -0.181 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.186 -4.186 -1.137 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.495 -3.935 -0.967 0.00 0.00 -0.269 N ATOM 12 H LIG 1 4.905 -3.114 -0.555 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 5.160 -4.995 -1.439 0.00 0.00 +0.440 A ATOM 14 O LIG 1 6.373 -5.130 -1.452 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.248 -5.907 -1.909 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 2.953 -5.332 -1.689 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 2.445 0.128 0.737 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.935 0.925 0.383 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 4.486 -0.354 1.990 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.901 0.305 0.736 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 4.307 1.788 0.734 0.00 0.00 +0.009 C ATOM 22 C LIG 1 3.570 2.807 1.648 0.00 0.00 +0.005 C ATOM 23 C LIG 1 3.756 3.846 0.524 0.00 0.00 +0.001 C ATOM 24 C LIG 1 3.865 2.669 -0.467 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 -3.108 -1.238 0.435 0.00 0.00 +0.201 C ATOM 26 O LIG 1 -3.504 -0.254 1.067 0.00 0.00 -0.289 OA BRANCH 25 27 ATOM 27 C LIG 1 -4.154 -2.223 -0.091 0.00 0.00 +0.068 C ATOM 28 C LIG 1 -4.167 -2.344 -1.616 0.00 0.00 +0.039 C ATOM 29 C LIG 1 -5.255 -3.319 -2.049 0.00 0.00 +0.160 C ATOM 30 O LIG 1 -5.085 -4.585 -1.411 0.00 0.00 -0.380 OA ATOM 31 C LIG 1 -5.172 -4.503 0.010 0.00 0.00 +0.160 C ATOM 32 C LIG 1 -4.081 -3.599 0.571 0.00 0.00 +0.039 C ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 33 ATOM 33 C LIG 1 -0.731 0.591 1.251 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 -1.220 1.777 0.397 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -0.184 2.255 -0.623 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -0.755 3.342 -1.540 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.655 4.364 -0.821 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -3.129 4.173 -1.190 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -1.449 4.328 0.696 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -1.653 2.941 1.312 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8