REMARK Name = BDB011009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.648 -2.217 -1.400 0.00 0.00 +0.116 A ATOM 2 N LIG 1 -1.599 -1.536 -0.906 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 -1.831 -0.485 -0.096 0.00 0.00 +0.143 A ATOM 4 C LIG 1 -3.147 -0.119 0.213 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -4.266 -0.815 -0.304 0.00 0.00 -0.028 A ATOM 6 C LIG 1 -3.970 -1.898 -1.140 0.00 0.00 +0.041 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.716 0.255 0.412 0.00 0.00 -0.251 N ATOM 8 C LIG 1 0.512 -0.391 0.588 0.00 0.00 +0.267 A ATOM 9 O LIG 1 0.733 -1.595 0.483 0.00 0.00 -0.267 OA ATOM 10 C LIG 1 1.635 0.462 1.038 0.00 0.00 +0.066 A ATOM 11 C LIG 1 1.371 1.798 1.328 0.00 0.00 +0.078 A ATOM 12 C LIG 1 2.413 2.612 1.775 0.00 0.00 +0.029 A ATOM 13 C LIG 1 3.705 2.100 1.931 0.00 0.00 +0.007 A ATOM 14 C LIG 1 3.974 0.756 1.640 0.00 0.00 -0.033 A ATOM 15 N LIG 1 0.100 2.357 1.175 0.00 0.00 -0.237 NA ATOM 16 C LIG 1 2.926 -0.062 1.192 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -0.840 1.590 0.728 0.00 0.00 +0.209 A BRANCH 14 18 ATOM 18 C LIG 1 5.370 0.191 1.804 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 5.970 -0.257 0.538 0.00 0.00 -0.298 NA ATOM 20 C LIG 1 7.191 -1.048 0.764 0.00 0.00 +0.088 C ATOM 21 C LIG 1 8.488 -0.268 0.508 0.00 0.00 +0.000 C ATOM 22 C LIG 1 9.718 -1.111 0.839 0.00 0.00 +0.009 C ATOM 23 C LIG 1 8.541 0.225 -0.946 0.00 0.00 +0.006 C ATOM 24 C LIG 1 7.151 0.516 -1.512 0.00 0.00 +0.016 C ATOM 25 C LIG 1 6.155 0.857 -0.406 0.00 0.00 +0.085 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 5 26 ATOM 26 C LIG 1 -5.761 -0.356 0.064 0.00 0.00 +0.056 C ATOM 27 C LIG 1 -6.954 -1.341 -0.172 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -7.511 -1.003 1.227 0.00 0.00 -0.012 C ATOM 29 C LIG 1 -8.688 -0.041 1.278 0.00 0.00 +0.007 C ATOM 30 C LIG 1 -6.128 -0.430 1.591 0.00 0.00 +0.022 C BRANCH 26 31 ATOM 31 C LIG 1 -6.001 1.090 -0.548 0.00 0.00 +0.144 A ATOM 32 N LIG 1 -6.289 1.429 -1.842 0.00 0.00 -0.320 N ATOM 33 C LIG 1 -6.471 0.566 -2.976 0.00 0.00 +0.151 C ATOM 34 C LIG 1 -6.351 2.789 -1.869 0.00 0.00 +0.224 A ATOM 35 N LIG 1 -6.100 3.263 -0.672 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -5.870 2.195 0.159 0.00 0.00 -0.134 NA ENDBRANCH 26 31 ENDBRANCH 5 26 BRANCH 1 38 ATOM 37 C LIG 1 -2.014 -4.234 -2.962 0.00 0.00 +0.011 C ATOM 38 C LIG 1 -2.308 -3.313 -2.250 0.00 0.00 -0.050 C ENDBRANCH 1 38 TORSDOF 6