REMARK Name = BDB008247 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.373 1.751 -0.555 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.788 1.791 0.137 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 1.284 0.642 0.638 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.659 -0.577 0.461 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -0.476 -0.630 -0.334 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -1.012 0.559 -0.835 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.110 -1.907 -0.644 0.00 0.00 +0.106 A ATOM 8 C LIG 1 -0.514 -3.106 -1.149 0.00 0.00 +0.086 A ATOM 9 C LIG 1 -1.575 -3.988 -1.279 0.00 0.00 +0.164 A ATOM 10 N LIG 1 -1.530 -5.252 -1.734 0.00 0.00 -0.216 NA ATOM 11 C LIG 1 -0.287 -5.598 -2.080 0.00 0.00 +0.225 A ATOM 12 N LIG 1 0.824 -4.845 -2.021 0.00 0.00 -0.220 NA ATOM 13 N LIG 1 -2.690 -3.309 -0.866 0.00 0.00 -0.249 N ATOM 14 C LIG 1 -4.037 -3.823 -0.784 0.00 0.00 +0.174 C ATOM 15 C LIG 1 0.735 -3.580 -1.561 0.00 0.00 +0.131 A ATOM 16 N LIG 1 -2.438 -2.044 -0.489 0.00 0.00 -0.169 NA BRANCH 15 17 ATOM 17 N LIG 1 1.923 -2.858 -1.574 0.00 0.00 -0.342 N ATOM 18 H LIG 1 2.687 -3.491 -1.793 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 2.102 -2.302 -0.744 0.00 0.00 +0.144 HD ENDBRANCH 15 17 ENDBRANCH 5 7 BRANCH 1 21 ATOM 20 C LIG 1 -1.943 3.535 -1.468 0.00 0.00 +0.235 C ATOM 21 N LIG 1 -0.774 3.008 -1.013 0.00 0.00 -0.269 N ATOM 22 H LIG 1 -0.039 3.700 -0.933 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 -1.895 4.677 -1.942 0.00 0.00 -0.274 OA BRANCH 20 24 ATOM 24 C LIG 1 -3.287 2.779 -1.361 0.00 0.00 +0.137 C ATOM 25 C LIG 1 -4.454 3.606 -1.922 0.00 0.00 +0.034 C BRANCH 24 27 ATOM 26 C LIG 1 -3.704 3.407 0.987 0.00 0.00 +0.101 C ATOM 27 N LIG 1 -3.537 2.329 0.024 0.00 0.00 -0.309 NA ATOM 28 H LIG 1 -4.365 1.735 0.037 0.00 0.00 +0.122 HD ENDBRANCH 24 27 ENDBRANCH 20 24 ENDBRANCH 1 21 BRANCH 3 29 ATOM 29 N LIG 1 2.478 0.787 1.340 0.00 0.00 -0.265 N ATOM 30 H LIG 1 2.784 1.744 1.477 0.00 0.00 +0.157 HD ATOM 31 C LIG 1 3.349 -0.197 1.735 0.00 0.00 +0.268 C ATOM 32 O LIG 1 3.229 -1.400 1.526 0.00 0.00 -0.268 OA BRANCH 31 33 ATOM 33 C LIG 1 4.555 0.336 2.447 0.00 0.00 +0.126 A ATOM 34 N LIG 1 4.598 1.687 2.626 0.00 0.00 -0.250 NA ATOM 35 C LIG 1 5.689 2.172 3.260 0.00 0.00 +0.111 A ATOM 36 C LIG 1 6.735 1.381 3.717 0.00 0.00 +0.020 A ATOM 37 C LIG 1 6.665 0.008 3.512 0.00 0.00 +0.004 A ATOM 38 C LIG 1 5.555 -0.531 2.865 0.00 0.00 +0.033 A ENDBRANCH 31 33 ENDBRANCH 3 29 TORSDOF 7