REMARK Name = BDB031169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.641 -3.044 -1.314 0.00 0.00 +0.144 C ATOM 2 N LIG 1 -0.759 -2.632 -1.385 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -1.389 -2.079 -0.291 0.00 0.00 +0.227 C ATOM 4 O LIG 1 -0.828 -2.066 0.809 0.00 0.00 -0.275 OA ATOM 5 C LIG 1 -1.274 -2.770 -2.740 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -0.143 -3.409 -3.555 0.00 0.00 +0.134 C ATOM 7 C LIG 1 0.791 -3.996 -2.496 0.00 0.00 +0.063 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 2.337 0.165 -0.818 0.00 0.00 +0.066 A ATOM 9 N LIG 1 1.577 -0.901 -0.398 0.00 0.00 -0.340 N ATOM 10 H LIG 1 1.072 -0.977 0.479 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 1.495 -1.812 -1.428 0.00 0.00 +0.128 A ATOM 12 N LIG 1 2.198 -1.405 -2.465 0.00 0.00 -0.238 NA ATOM 13 C LIG 1 2.718 -0.191 -2.099 0.00 0.00 +0.139 A BRANCH 8 16 ATOM 14 C LIG 1 3.008 2.421 2.135 0.00 0.00 +0.037 A ATOM 15 C LIG 1 2.735 1.274 1.376 0.00 0.00 +0.023 A ATOM 16 C LIG 1 2.598 1.355 -0.016 0.00 0.00 +0.001 A ATOM 17 C LIG 1 2.720 2.608 -0.634 0.00 0.00 +0.010 A ATOM 18 C LIG 1 2.966 3.758 0.120 0.00 0.00 +0.001 A ATOM 19 C LIG 1 3.106 3.668 1.505 0.00 0.00 +0.013 A BRANCH 14 23 ATOM 20 C LIG 1 4.308 3.053 5.629 0.00 0.00 +0.128 C ATOM 21 N LIG 1 3.987 3.193 4.230 0.00 0.00 -0.314 N ATOM 22 H LIG 1 4.616 3.738 3.657 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 3.167 2.272 3.608 0.00 0.00 +0.244 C ATOM 24 O LIG 1 2.621 1.346 4.198 0.00 0.00 -0.270 OA ENDBRANCH 14 23 ENDBRANCH 8 16 ENDBRANCH 1 11 BRANCH 6 25 ATOM 25 O LIG 1 -0.626 -4.418 -4.434 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -0.979 -5.152 -3.902 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 -2.752 -1.403 -0.509 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 C LIG 1 -2.443 0.054 -0.670 0.00 0.00 +0.153 A ATOM 29 O LIG 1 -2.152 0.753 0.465 0.00 0.00 -0.355 OA ATOM 30 N LIG 1 -1.851 2.065 0.136 0.00 0.00 -0.040 NA ATOM 31 C LIG 1 -1.952 2.121 -1.193 0.00 0.00 +0.255 A ATOM 32 C LIG 1 -2.336 0.894 -1.755 0.00 0.00 +0.115 A BRANCH 31 33 ATOM 33 O LIG 1 -1.701 3.255 -1.885 0.00 0.00 -0.478 OA ATOM 34 C LIG 1 -1.349 4.368 -1.070 0.00 0.00 +0.279 C ENDBRANCH 31 33 ENDBRANCH 27 28 BRANCH 27 35 ATOM 35 C LIG 1 -3.723 -1.695 0.664 0.00 0.00 +0.002 C ATOM 36 C LIG 1 -4.002 -3.200 0.781 0.00 0.00 +0.008 C ATOM 37 C LIG 1 -5.062 -0.963 0.492 0.00 0.00 +0.008 C ENDBRANCH 27 35 ENDBRANCH 3 27 TORSDOF 8