REMARK Name = BDB003327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.648 -1.221 0.727 0.00 0.00 -0.284 N ATOM 2 C LIG 1 0.569 -0.608 0.312 0.00 0.00 +0.041 A ATOM 3 C LIG 1 1.815 -1.058 0.804 0.00 0.00 +0.003 A ATOM 4 C LIG 1 3.013 -0.463 0.355 0.00 0.00 +0.016 A ATOM 5 C LIG 1 3.009 0.569 -0.588 0.00 0.00 -0.014 A ATOM 6 C LIG 1 1.779 1.018 -1.069 0.00 0.00 +0.010 A ATOM 7 C LIG 1 1.883 -2.112 1.885 0.00 0.00 +0.148 C ATOM 8 C LIG 1 0.581 -2.881 2.020 0.00 0.00 +0.055 C ATOM 9 C LIG 1 0.583 0.439 -0.626 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -0.573 -1.893 2.032 0.00 0.00 +0.115 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.801 0.437 1.312 0.00 0.00 +0.128 A ATOM 12 N LIG 1 -2.572 -0.081 1.526 0.00 0.00 -0.226 NA ATOM 13 C LIG 1 -1.950 -0.699 0.495 0.00 0.00 +0.134 A ATOM 14 C LIG 1 -2.564 -0.853 -0.779 0.00 0.00 +0.022 A ATOM 15 C LIG 1 -3.850 -0.296 -0.963 0.00 0.00 -0.012 A ATOM 16 C LIG 1 -4.500 -0.418 -2.203 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -3.896 -1.093 -3.264 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.639 -1.661 -3.096 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -1.984 -1.547 -1.869 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -4.470 0.362 0.100 0.00 0.00 +0.041 A BRANCH 11 24 ATOM 21 C LIG 1 -5.632 3.100 3.283 0.00 0.00 +0.128 C ATOM 22 N LIG 1 -5.109 2.297 2.206 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -4.907 2.761 1.330 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -4.439 1.114 2.486 0.00 0.00 +0.262 C ATOM 25 O LIG 1 -4.349 0.644 3.615 0.00 0.00 -0.269 OA ENDBRANCH 11 24 ENDBRANCH 1 13 BRANCH 5 26 ATOM 26 C LIG 1 4.245 1.176 -1.052 0.00 0.00 +0.020 A ATOM 27 C LIG 1 5.469 0.542 -1.120 0.00 0.00 +0.116 A ATOM 28 N LIG 1 6.350 1.456 -1.622 0.00 0.00 -0.274 N ATOM 29 C LIG 1 7.755 1.257 -1.878 0.00 0.00 +0.172 C ATOM 30 N LIG 1 5.790 2.648 -1.894 0.00 0.00 -0.179 NA ATOM 31 C LIG 1 4.511 2.475 -1.548 0.00 0.00 +0.142 A ENDBRANCH 5 26 BRANCH 7 32 ATOM 32 O LIG 1 2.944 -3.031 1.621 0.00 0.00 -0.387 OA ATOM 33 H LIG 1 2.946 -3.683 2.341 0.00 0.00 +0.210 HD ENDBRANCH 7 32 TORSDOF 4