REMARK Name = BDB010416 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.472 -1.635 0.202 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.136 -1.248 0.106 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.856 -2.059 0.635 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -2.094 -1.530 0.446 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.918 -0.448 -0.272 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.629 -3.221 1.265 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 0.665 -3.532 1.298 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.565 -0.171 -0.397 0.00 0.00 -0.307 N ATOM 9 N LIG 1 1.707 -2.818 0.808 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 1.039 -4.807 1.950 0.00 0.00 +0.220 A ATOM 11 N LIG 1 2.332 -5.174 1.966 0.00 0.00 -0.269 N ATOM 12 H LIG 1 3.107 -4.673 1.565 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 2.396 -6.348 2.605 0.00 0.00 +0.440 A ATOM 14 O LIG 1 3.411 -6.994 2.813 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 1.128 -6.704 2.990 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 0.260 -5.657 2.536 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 -2.877 0.393 -0.740 0.00 0.00 -0.288 N ATOM 18 C LIG 1 -4.192 0.423 -0.028 0.00 0.00 +0.150 C ATOM 19 C LIG 1 -4.922 1.738 -0.428 0.00 0.00 +0.188 C ATOM 20 O LIG 1 -5.029 1.959 -1.849 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 -3.763 1.839 -2.505 0.00 0.00 +0.179 C ATOM 22 C LIG 1 -3.060 0.505 -2.202 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 -5.084 -0.809 -0.243 0.00 0.00 +0.064 A ATOM 24 N LIG 1 -5.852 -0.879 -1.364 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 -6.631 -1.970 -1.531 0.00 0.00 +0.111 A ATOM 26 C LIG 1 -6.694 -3.018 -0.632 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -5.909 -2.945 0.510 0.00 0.00 +0.003 A ATOM 28 C LIG 1 -5.098 -1.830 0.710 0.00 0.00 +0.025 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 N LIG 1 2.533 -0.903 -0.305 0.00 0.00 -0.324 N ATOM 30 H LIG 1 2.357 0.080 -0.441 0.00 0.00 +0.148 HD BRANCH 29 32 ATOM 31 C LIG 1 4.137 -0.571 1.511 0.00 0.00 +0.028 C ATOM 32 C LIG 1 3.894 -1.208 0.140 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 4.889 -0.619 -0.877 0.00 0.00 +0.009 C ATOM 34 C LIG 1 6.365 -1.097 -0.775 0.00 0.00 +0.005 C ATOM 35 C LIG 1 6.045 -2.155 -1.846 0.00 0.00 +0.001 C ATOM 36 C LIG 1 4.877 -1.259 -2.295 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 8 37 ATOM 37 C LIG 1 0.007 1.074 -0.880 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 0.566 1.986 0.235 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -0.544 2.632 1.093 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -0.955 4.004 0.567 0.00 0.00 +0.003 C ATOM 41 C LIG 1 0.220 5.000 0.570 0.00 0.00 -0.014 C ATOM 42 C LIG 1 0.188 5.898 1.807 0.00 0.00 +0.007 C ATOM 43 C LIG 1 1.586 4.300 0.459 0.00 0.00 +0.003 C ATOM 44 C LIG 1 1.494 3.043 -0.397 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 8