REMARK Name = BDB000016 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.174 -0.957 1.358 0.00 0.00 +0.044 A ATOM 2 C LIG 1 1.478 -0.727 0.940 0.00 0.00 +0.071 A ATOM 3 C LIG 1 1.980 0.035 -0.202 0.00 0.00 +0.256 C ATOM 4 N LIG 1 3.347 -0.018 -0.151 0.00 0.00 -0.222 N ATOM 5 C LIG 1 3.775 -0.807 0.880 0.00 0.00 +0.255 C ATOM 6 O LIG 1 4.907 -1.136 1.177 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 1.268 0.591 -1.019 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 2.580 -1.242 1.600 0.00 0.00 +0.051 A ATOM 9 C LIG 1 2.459 -2.033 2.724 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.165 -2.297 3.172 0.00 0.00 +0.003 A ATOM 11 C LIG 1 0.042 -1.765 2.498 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 4.193 0.495 -1.218 0.00 0.00 +0.171 C ATOM 13 C LIG 1 4.581 -0.657 -2.152 0.00 0.00 +0.240 C ATOM 14 O LIG 1 3.949 -1.708 -2.242 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 5.674 -0.428 -2.957 0.00 0.00 -0.255 N ATOM 16 H LIG 1 5.926 -1.182 -3.582 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.561 0.618 -2.893 0.00 0.00 +0.219 C ATOM 18 O LIG 1 7.552 0.653 -3.615 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 6.219 1.738 -1.937 0.00 0.00 +0.098 C ATOM 20 C LIG 1 5.444 1.221 -0.734 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 -0.911 -0.393 0.675 0.00 0.00 -0.313 N ATOM 22 H LIG 1 -0.672 -0.035 -0.256 0.00 0.00 +0.152 HD BRANCH 21 24 ATOM 23 C LIG 1 -3.263 -0.029 0.092 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -2.230 -0.062 1.068 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -2.536 0.199 2.417 0.00 0.00 +0.051 A ATOM 26 C LIG 1 -3.862 0.500 2.762 0.00 0.00 +0.070 A ATOM 27 C LIG 1 -4.883 0.544 1.823 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -6.038 0.875 2.565 0.00 0.00 +0.143 A ATOM 29 N LIG 1 -5.786 1.038 3.865 0.00 0.00 -0.179 NA ATOM 30 N LIG 1 -4.461 0.808 3.960 0.00 0.00 -0.267 N ATOM 31 C LIG 1 -3.813 0.903 5.246 0.00 0.00 +0.173 C ATOM 32 C LIG 1 -4.588 0.278 0.477 0.00 0.00 +0.022 A BRANCH 23 38 ATOM 33 C LIG 1 -2.847 1.467 -4.666 0.00 0.00 +0.065 C ATOM 34 C LIG 1 -2.805 0.389 -3.625 0.00 0.00 +0.039 A ATOM 35 N LIG 1 -2.519 -0.865 -4.042 0.00 0.00 -0.260 NA ATOM 36 C LIG 1 -2.469 -1.834 -3.103 0.00 0.00 +0.111 A ATOM 37 C LIG 1 -2.702 -1.614 -1.756 0.00 0.00 +0.028 A ATOM 38 C LIG 1 -3.003 -0.319 -1.329 0.00 0.00 -0.013 A ATOM 39 C LIG 1 -3.053 0.698 -2.290 0.00 0.00 +0.031 A ENDBRANCH 23 38 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 4