REMARK Name = BDB010686 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.288 -1.133 0.096 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.099 -0.884 0.758 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.869 -1.689 0.193 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.166 -2.432 -0.744 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.707 -3.385 -1.520 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.012 -3.548 -1.276 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.778 -2.879 -0.395 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -2.235 -1.912 0.369 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.149 -2.091 -0.785 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 6.733 2.420 0.558 0.00 0.00 +0.109 C ATOM 11 C LIG 1 6.308 1.139 1.231 0.00 0.00 +0.213 C ATOM 12 N LIG 1 5.069 0.618 0.878 0.00 0.00 -0.298 N ATOM 13 C LIG 1 4.026 1.413 0.203 0.00 0.00 +0.135 C ATOM 14 C LIG 1 2.918 0.572 -0.504 0.00 0.00 +0.124 C ATOM 15 N LIG 1 2.432 -0.483 0.437 0.00 0.00 -0.291 N ATOM 16 C LIG 1 3.524 -1.367 0.898 0.00 0.00 +0.127 C ATOM 17 C LIG 1 4.590 -0.544 1.637 0.00 0.00 +0.127 C ATOM 18 O LIG 1 7.051 0.590 2.044 0.00 0.00 -0.276 OA BRANCH 14 19 ATOM 19 C LIG 1 3.317 0.069 -1.893 0.00 0.00 -0.026 A ATOM 20 C LIG 1 2.345 0.037 -2.911 0.00 0.00 +0.005 A ATOM 21 C LIG 1 2.662 -0.391 -4.202 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.958 -0.797 -4.502 0.00 0.00 +0.000 A ATOM 23 C LIG 1 4.934 -0.779 -3.511 0.00 0.00 +0.000 A ATOM 24 C LIG 1 4.617 -0.351 -2.218 0.00 0.00 +0.005 A ENDBRANCH 14 19 ENDBRANCH 1 15 BRANCH 6 25 ATOM 25 C LIG 1 -2.680 -4.582 -2.096 0.00 0.00 +0.220 A ATOM 26 N LIG 1 -1.954 -5.288 -2.978 0.00 0.00 -0.269 N ATOM 27 H LIG 1 -0.968 -5.200 -3.162 0.00 0.00 +0.174 HD ATOM 28 C LIG 1 -2.794 -6.139 -3.581 0.00 0.00 +0.440 A ATOM 29 O LIG 1 -2.499 -6.945 -4.449 0.00 0.00 -0.221 OA ATOM 30 O LIG 1 -4.050 -5.953 -3.059 0.00 0.00 -0.295 OA ATOM 31 N LIG 1 -3.932 -4.912 -2.081 0.00 0.00 -0.051 NA ENDBRANCH 6 25 BRANCH 8 32 ATOM 32 N LIG 1 -3.015 -1.203 1.266 0.00 0.00 -0.324 N ATOM 33 H LIG 1 -2.684 -0.259 1.399 0.00 0.00 +0.148 HD BRANCH 32 34 ATOM 34 C LIG 1 -4.483 -1.274 1.248 0.00 0.00 +0.072 C ATOM 35 C LIG 1 -5.005 -2.648 1.662 0.00 0.00 +0.028 C BRANCH 34 36 ATOM 36 C LIG 1 -5.096 -0.817 -0.076 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -4.799 0.648 -0.508 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -6.235 0.699 -1.066 0.00 0.00 +0.001 C ATOM 39 C LIG 1 -6.594 -0.397 -0.042 0.00 0.00 +0.005 C ENDBRANCH 34 36 ENDBRANCH 32 34 ENDBRANCH 8 32 BRANCH 2 40 ATOM 40 C LIG 1 -0.024 -0.059 1.948 0.00 0.00 +0.128 C BRANCH 40 41 ATOM 41 C LIG 1 -0.035 1.460 1.691 0.00 0.00 +0.009 C ATOM 42 C LIG 1 0.001 2.224 3.030 0.00 0.00 +0.005 C ATOM 43 C LIG 1 -0.670 3.599 2.978 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -0.537 4.300 1.623 0.00 0.00 -0.014 C ATOM 45 C LIG 1 0.904 4.754 1.366 0.00 0.00 +0.007 C ATOM 46 C LIG 1 -1.067 3.422 0.473 0.00 0.00 +0.003 C ATOM 47 C LIG 1 -1.207 1.938 0.831 0.00 0.00 +0.005 C ENDBRANCH 40 41 ENDBRANCH 2 40 TORSDOF 8