REMARK Name = BDB010294 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.566 -1.101 -0.079 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.284 -0.651 -0.346 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.599 -1.508 0.279 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.224 -2.349 1.010 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.220 -3.312 1.833 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.551 -3.360 1.880 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.440 -2.598 1.197 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.982 -1.652 0.352 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.540 -2.089 0.784 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.161 -4.370 2.774 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.500 -4.432 2.865 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.165 -3.849 2.386 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.788 -5.415 3.727 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.907 -5.765 4.064 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -2.610 -5.964 4.168 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -1.558 -5.244 3.513 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 3.913 -0.561 0.191 0.00 0.00 +0.076 C ATOM 18 N LIG 1 2.672 -0.537 -0.649 0.00 0.00 -0.298 N ATOM 19 C LIG 1 2.899 -0.880 -2.064 0.00 0.00 +0.108 C ATOM 20 C LIG 1 3.453 -2.298 -2.210 0.00 0.00 +0.019 C ATOM 21 C LIG 1 4.496 -2.636 -1.147 0.00 0.00 +0.003 C ATOM 22 C LIG 1 5.035 -1.381 -0.471 0.00 0.00 +0.022 C BRANCH 17 23 ATOM 23 C LIG 1 4.312 0.909 0.460 0.00 0.00 +0.025 C BRANCH 23 25 ATOM 24 C LIG 1 6.856 1.061 0.789 0.00 0.00 +0.007 C ATOM 25 C LIG 1 5.476 1.200 1.431 0.00 0.00 -0.015 C ATOM 26 C LIG 1 5.394 0.402 2.730 0.00 0.00 +0.007 C ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 1 18 BRANCH 8 27 ATOM 27 N LIG 1 -2.868 -0.878 -0.378 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -2.510 -0.588 -1.277 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.293 -1.216 -0.390 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -4.548 -2.346 -1.386 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -5.083 0.068 -0.715 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -6.619 -0.017 -0.906 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -6.405 0.132 -2.423 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -5.005 0.699 -2.132 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 -0.059 0.554 -1.083 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -0.647 1.684 -0.211 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -1.304 2.772 -1.088 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -0.380 3.961 -1.330 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.037 4.650 -0.017 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -0.861 5.848 0.296 0.00 0.00 +0.007 C ATOM 41 C LIG 1 0.061 3.679 1.177 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.423 2.267 0.732 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9