REMARK Name = BDB010509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.202 -1.458 -0.400 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.825 -1.373 -0.211 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.007 -2.397 -0.656 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.298 -2.163 -0.355 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 1.329 -1.006 0.289 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -0.440 -3.487 -1.304 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.765 -3.480 -1.488 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.059 -0.441 0.300 0.00 0.00 -0.318 N ATOM 9 N LIG 1 -2.643 -2.535 -1.078 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.555 -0.425 0.851 0.00 0.00 +0.106 A ATOM 11 N LIG 1 2.418 0.313 1.974 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 3.550 0.814 2.507 0.00 0.00 +0.112 A ATOM 13 C LIG 1 4.814 0.613 1.970 0.00 0.00 +0.023 A ATOM 14 C LIG 1 4.977 -0.159 0.810 0.00 0.00 -0.041 A ATOM 15 C LIG 1 3.793 -0.685 0.263 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 6.407 -0.417 0.177 0.00 0.00 +0.019 C ATOM 17 C LIG 1 6.623 -0.134 -1.338 0.00 0.00 +0.008 C ATOM 18 C LIG 1 7.612 -1.317 -1.347 0.00 0.00 +0.001 C ATOM 19 C LIG 1 6.843 -1.878 -0.134 0.00 0.00 +0.008 C ENDBRANCH 14 16 ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 -3.097 -0.501 0.055 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -2.816 -0.077 0.929 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 -5.245 0.570 -0.167 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -4.534 -0.780 -0.018 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 -5.026 -1.467 1.258 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -6.514 -1.922 1.290 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -6.052 -3.121 2.142 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -4.675 -2.969 1.466 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 -2.331 -4.667 -2.223 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -1.710 -5.610 -2.687 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -3.679 -4.630 -2.350 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -3.887 -5.451 -2.841 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 -0.278 0.930 0.655 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 C LIG 1 -0.631 1.823 -0.558 0.00 0.00 +0.009 C ATOM 34 C LIG 1 0.581 2.119 -1.459 0.00 0.00 +0.005 C ATOM 35 C LIG 1 1.580 3.092 -0.832 0.00 0.00 +0.003 C ATOM 36 C LIG 1 0.929 4.394 -0.345 0.00 0.00 -0.014 C ATOM 37 C LIG 1 0.565 5.313 -1.515 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -0.287 4.105 0.546 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.282 3.137 -0.095 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9