REMARK Name = BDB017465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.875 -0.331 0.962 0.00 0.00 +0.093 A ATOM 2 C LIG 1 -1.927 -0.746 0.089 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -3.017 -0.964 0.920 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -4.266 -1.387 0.451 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -4.439 -1.585 -0.932 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -3.333 -1.385 -1.776 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -2.571 -0.679 2.180 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -3.097 -0.728 3.045 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -2.084 -0.966 -1.292 0.00 0.00 +0.012 A ATOM 10 N LIG 1 -1.288 -0.292 2.238 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.773 -2.038 -1.479 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -7.021 -1.185 -1.374 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -7.110 0.175 -0.741 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -8.349 0.260 -0.084 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -8.769 1.377 0.608 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -7.903 2.470 0.640 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -6.660 2.418 -0.016 0.00 0.00 +0.000 A ATOM 18 N LIG 1 -9.053 -0.932 -0.261 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -9.977 -1.127 0.093 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -6.261 1.272 -0.713 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -8.341 -1.837 -1.028 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -8.686 -2.955 -1.369 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -6.372 -1.391 -2.712 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 25 ATOM 24 C LIG 1 1.437 0.416 1.361 0.00 0.00 +0.011 C ATOM 25 C LIG 1 0.456 0.003 0.539 0.00 0.00 +0.031 C BRANCH 24 29 ATOM 26 C LIG 1 5.401 1.379 0.134 0.00 0.00 +0.121 A ATOM 27 N LIG 1 4.748 0.361 -0.465 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 3.486 0.070 -0.058 0.00 0.00 +0.120 A ATOM 29 C LIG 1 2.791 0.764 0.923 0.00 0.00 -0.007 A ATOM 30 C LIG 1 3.470 1.813 1.533 0.00 0.00 +0.013 A ATOM 31 C LIG 1 4.770 2.127 1.130 0.00 0.00 +0.044 A BRANCH 26 36 ATOM 32 C LIG 1 9.171 -1.768 0.202 0.00 0.00 +0.105 C ATOM 33 N LIG 1 8.753 -0.403 -0.108 0.00 0.00 -0.302 NA ATOM 34 C LIG 1 7.715 -0.407 -1.169 0.00 0.00 +0.103 C ATOM 35 C LIG 1 7.177 1.010 -1.484 0.00 0.00 +0.122 C ATOM 36 N LIG 1 6.700 1.716 -0.274 0.00 0.00 -0.313 N ATOM 37 C LIG 1 7.717 1.701 0.800 0.00 0.00 +0.122 C ATOM 38 C LIG 1 8.213 0.265 1.097 0.00 0.00 +0.103 C ENDBRANCH 26 36 ENDBRANCH 24 29 ENDBRANCH 1 25 TORSDOF 4