REMARK Name = BDB057448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.708 -3.496 0.538 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -1.566 -2.156 0.237 0.00 0.00 +0.166 A ATOM 3 N LIG 1 -0.224 -1.941 0.075 0.00 0.00 -0.183 N ATOM 4 C LIG 1 0.258 -0.659 -0.241 0.00 0.00 +0.221 A ATOM 5 N LIG 1 -0.611 0.308 -0.372 0.00 0.00 -0.181 NA ATOM 6 C LIG 1 -1.952 0.045 -0.194 0.00 0.00 +0.220 A ATOM 7 N LIG 1 0.532 -3.051 0.253 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -2.441 -1.131 0.095 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 -0.378 -3.990 0.530 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -3.009 -4.811 2.227 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -2.980 -4.241 0.808 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -3.215 -5.349 -0.221 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -2.759 1.135 -0.353 0.00 0.00 -0.310 N ATOM 14 H LIG 1 -2.268 1.898 -0.801 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 C LIG 1 -4.193 1.043 -0.584 0.00 0.00 +0.073 C ATOM 16 C LIG 1 -4.654 2.299 -1.351 0.00 0.00 +0.024 C ATOM 17 C LIG 1 -6.132 2.583 -1.111 0.00 0.00 +0.020 C ATOM 18 C LIG 1 -6.404 2.902 0.368 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.426 2.192 1.319 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -4.940 0.861 0.752 0.00 0.00 +0.024 C BRANCH 18 21 ATOM 21 N LIG 1 -7.787 2.536 0.674 0.00 0.00 -0.327 NA ATOM 22 H LIG 1 -8.004 2.784 1.639 0.00 0.00 +0.118 HD ATOM 23 H LIG 1 -8.425 3.077 0.090 0.00 0.00 +0.118 HD ENDBRANCH 18 21 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 24 ATOM 24 N LIG 1 1.595 -0.371 -0.423 0.00 0.00 -0.309 N ATOM 25 H LIG 1 1.778 0.625 -0.476 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 2.700 -1.165 0.063 0.00 0.00 +0.139 C BRANCH 26 27 ATOM 27 C LIG 1 3.982 -0.381 -0.101 0.00 0.00 -0.030 A ATOM 28 C LIG 1 4.505 0.364 0.961 0.00 0.00 +0.006 A ATOM 29 C LIG 1 5.676 1.111 0.792 0.00 0.00 +0.010 A ATOM 30 C LIG 1 6.362 1.144 -0.436 0.00 0.00 +0.000 A ATOM 31 C LIG 1 5.810 0.406 -1.499 0.00 0.00 +0.010 A ATOM 32 C LIG 1 4.639 -0.344 -1.336 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 7.600 1.938 -0.587 0.00 0.00 +0.071 A ATOM 34 N LIG 1 7.683 3.055 0.184 0.00 0.00 -0.255 NA ATOM 35 C LIG 1 8.793 3.818 0.080 0.00 0.00 +0.111 A ATOM 36 C LIG 1 9.854 3.526 -0.757 0.00 0.00 +0.020 A ATOM 37 C LIG 1 9.771 2.380 -1.535 0.00 0.00 +0.004 A ATOM 38 C LIG 1 8.636 1.576 -1.450 0.00 0.00 +0.028 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 4 24 TORSDOF 8