REMARK Name = BDB058607 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.710 -0.879 2.268 0.00 0.00 +0.089 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 0.690 -0.710 1.217 0.00 0.00 -0.302 NA ATOM 3 C LIG 1 0.105 -2.010 0.844 0.00 0.00 +0.085 C ATOM 4 C LIG 1 -1.258 -1.899 0.146 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -1.368 -0.585 -0.634 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -1.167 0.617 0.310 0.00 0.00 +0.023 C ATOM 7 C LIG 1 -0.345 0.265 1.556 0.00 0.00 +0.085 C BRANCH 5 8 ATOM 8 C LIG 1 -2.655 -0.469 -1.431 0.00 0.00 -0.044 A ATOM 9 C LIG 1 -3.915 -0.608 -0.825 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -5.099 -0.487 -1.571 0.00 0.00 -0.033 A ATOM 11 C LIG 1 -5.011 -0.227 -2.945 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -3.768 -0.084 -3.558 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -2.599 -0.202 -2.806 0.00 0.00 +0.004 A BRANCH 10 14 ATOM 14 C LIG 1 -6.450 -0.647 -0.905 0.00 0.00 +0.119 C BRANCH 14 15 ATOM 15 N LIG 1 -7.325 0.526 -1.064 0.00 0.00 -0.294 NA ATOM 16 C LIG 1 -8.692 0.246 -0.572 0.00 0.00 +0.113 C ATOM 17 C LIG 1 -8.811 0.203 0.961 0.00 0.00 +0.175 C ATOM 18 O LIG 1 -8.320 1.408 1.561 0.00 0.00 -0.377 OA ATOM 19 C LIG 1 -6.963 1.657 1.173 0.00 0.00 +0.175 C ATOM 20 C LIG 1 -6.819 1.724 -0.356 0.00 0.00 +0.113 C ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 2.696 0.298 2.398 0.00 0.00 +0.053 C BRANCH 21 25 ATOM 22 N LIG 1 5.427 0.535 -0.085 0.00 0.00 -0.220 N ATOM 23 N LIG 1 4.362 0.859 -0.883 0.00 0.00 -0.173 NA ATOM 24 C LIG 1 3.296 0.797 -0.089 0.00 0.00 +0.138 A ATOM 25 C LIG 1 3.617 0.448 1.234 0.00 0.00 -0.008 A ATOM 26 C LIG 1 4.988 0.289 1.205 0.00 0.00 +0.120 A BRANCH 22 31 ATOM 27 O LIG 1 11.444 -0.167 -0.385 0.00 0.00 -0.267 OA ATOM 28 C LIG 1 10.342 -0.153 0.151 0.00 0.00 +0.259 A ATOM 29 C LIG 1 9.111 0.182 -0.589 0.00 0.00 +0.070 A ATOM 30 C LIG 1 7.890 0.173 0.108 0.00 0.00 +0.122 A ATOM 31 C LIG 1 6.755 0.499 -0.649 0.00 0.00 +0.180 A ATOM 32 N LIG 1 6.838 0.807 -1.987 0.00 0.00 -0.234 NA ATOM 33 C LIG 1 8.036 0.798 -2.598 0.00 0.00 +0.114 A ATOM 34 N LIG 1 7.861 -0.151 1.483 0.00 0.00 -0.233 NA ATOM 35 C LIG 1 8.964 -0.435 2.083 0.00 0.00 +0.200 A ATOM 36 C LIG 1 9.203 0.492 -1.944 0.00 0.00 +0.035 A ATOM 37 N LIG 1 10.180 -0.446 1.476 0.00 0.00 -0.313 N ATOM 38 H LIG 1 11.018 -0.675 1.992 0.00 0.00 +0.170 HD ENDBRANCH 22 31 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 7