REMARK Name = BDB055733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.785 0.490 -0.900 0.00 0.00 -0.276 OA ATOM 2 C LIG 1 -0.719 0.652 0.313 0.00 0.00 +0.215 C ATOM 3 N LIG 1 0.403 1.138 0.953 0.00 0.00 -0.307 N ATOM 4 H LIG 1 0.487 0.917 1.940 0.00 0.00 +0.149 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.669 1.239 0.242 0.00 0.00 +0.200 C BRANCH 5 6 ATOM 6 C LIG 1 2.560 0.041 0.602 0.00 0.00 +0.233 C ATOM 7 N LIG 1 3.714 -0.151 -0.151 0.00 0.00 -0.297 N ATOM 8 C LIG 1 4.652 -1.185 0.308 0.00 0.00 +0.126 C ATOM 9 C LIG 1 5.558 -1.716 -0.817 0.00 0.00 +0.125 C ATOM 10 N LIG 1 6.229 -0.616 -1.540 0.00 0.00 -0.312 N ATOM 11 C LIG 1 5.263 0.370 -2.067 0.00 0.00 +0.125 C ATOM 12 C LIG 1 4.316 0.912 -0.977 0.00 0.00 +0.126 C ATOM 13 O LIG 1 2.263 -0.697 1.548 0.00 0.00 -0.274 OA BRANCH 10 14 ATOM 14 C LIG 1 7.340 -0.061 -0.887 0.00 0.00 +0.121 A ATOM 15 N LIG 1 7.375 1.267 -0.637 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 8.463 1.780 -0.018 0.00 0.00 +0.113 A ATOM 17 C LIG 1 9.555 1.031 0.374 0.00 0.00 +0.020 A ATOM 18 C LIG 1 9.532 -0.327 0.103 0.00 0.00 +0.005 A ATOM 19 C LIG 1 8.420 -0.874 -0.536 0.00 0.00 +0.043 A ENDBRANCH 10 14 ENDBRANCH 5 6 ENDBRANCH 3 5 BRANCH 2 20 ATOM 20 C LIG 1 -1.863 0.373 1.266 0.00 0.00 +0.111 C BRANCH 20 21 ATOM 21 C LIG 1 -3.081 -0.196 0.528 0.00 0.00 +0.094 C BRANCH 21 22 ATOM 22 N LIG 1 -4.176 -0.552 1.454 0.00 0.00 -0.293 NA ATOM 23 C LIG 1 -5.240 -1.376 0.827 0.00 0.00 +0.105 C ATOM 24 C LIG 1 -4.830 -2.605 -0.020 0.00 0.00 +0.128 C ATOM 25 N LIG 1 -4.815 -2.371 -1.449 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -4.376 -3.058 -2.050 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 -5.829 -1.678 -2.070 0.00 0.00 +0.244 C ATOM 28 C LIG 1 -6.595 -0.717 -1.236 0.00 0.00 +0.042 A ATOM 29 C LIG 1 -7.601 0.066 -1.812 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -8.248 1.048 -1.054 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -7.867 1.284 0.270 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.854 0.515 0.840 0.00 0.00 -0.041 A ATOM 33 C LIG 1 -6.284 0.759 2.213 0.00 0.00 +0.051 C ATOM 34 O LIG 1 -6.060 -1.828 -3.263 0.00 0.00 -0.270 OA ATOM 35 C LIG 1 -6.260 -0.525 0.105 0.00 0.00 -0.013 A ATOM 36 C LIG 1 -4.739 0.653 2.133 0.00 0.00 +0.089 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 2 20 TORSDOF 6