REMARK Name = BDB021643 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.487 -0.944 -0.315 0.00 0.00 +0.062 A ATOM 2 N LIG 1 -3.627 -0.471 -1.254 0.00 0.00 -0.216 NA ATOM 3 C LIG 1 -2.309 -0.725 -1.085 0.00 0.00 +0.228 A ATOM 4 O LIG 1 -1.529 -0.327 -2.133 0.00 0.00 -0.468 OA ATOM 5 C LIG 1 -0.658 0.784 -1.848 0.00 0.00 +0.122 C ATOM 6 C LIG 1 0.064 0.691 -0.483 0.00 0.00 +0.155 C ATOM 7 N LIG 1 0.538 -0.664 -0.196 0.00 0.00 -0.291 N ATOM 8 C LIG 1 -0.346 -1.678 0.166 0.00 0.00 +0.252 C ATOM 9 O LIG 1 0.019 -2.734 0.678 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.456 2.094 -1.940 0.00 0.00 +0.057 C ATOM 11 C LIG 1 0.387 0.769 -2.977 0.00 0.00 +0.057 C ATOM 12 C LIG 1 -1.793 -1.435 -0.010 0.00 0.00 +0.098 A ATOM 13 C LIG 1 -2.688 -1.927 0.941 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -4.049 -1.676 0.792 0.00 0.00 +0.026 A ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -6.686 -1.977 -0.794 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -5.977 -0.637 -0.524 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 N LIG 1 -6.577 0.124 0.609 0.00 0.00 -0.290 NA ATOM 18 C LIG 1 -8.000 0.484 0.399 0.00 0.00 +0.113 C ATOM 19 C LIG 1 -8.214 1.930 -0.079 0.00 0.00 +0.175 C ATOM 20 O LIG 1 -7.720 2.905 0.848 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 -6.622 2.421 1.631 0.00 0.00 +0.175 C ATOM 22 C LIG 1 -5.794 1.358 0.893 0.00 0.00 +0.113 C ENDBRANCH 16 17 ENDBRANCH 1 16 BRANCH 7 23 ATOM 23 C LIG 1 1.970 -0.854 0.063 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 2.345 -0.577 1.530 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 2.187 0.818 1.836 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 2.391 0.924 2.781 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 3.776 -1.068 1.869 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 4.845 -0.700 0.917 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 6.074 -1.457 1.241 0.00 0.00 +0.120 C ATOM 30 C LIG 1 7.282 -1.059 0.421 0.00 0.00 -0.030 A ATOM 31 C LIG 1 7.334 0.184 -0.231 0.00 0.00 -0.042 A ATOM 32 C LIG 1 8.476 0.543 -0.958 0.00 0.00 +0.004 A ATOM 33 C LIG 1 9.573 -0.316 -1.016 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.533 -1.541 -0.355 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.135 1.094 -0.202 0.00 0.00 +0.051 C ATOM 36 C LIG 1 8.395 -1.911 0.362 0.00 0.00 +0.005 A ATOM 37 C LIG 1 5.143 0.740 0.916 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 7