REMARK Name = BDB010342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.939 -0.916 -0.351 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.548 -0.973 -0.415 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.078 -2.075 -0.976 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.434 -1.965 -0.923 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.675 -0.831 -0.309 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.571 -3.122 -1.506 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.895 -2.977 -1.444 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.499 -0.133 -0.097 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.599 -1.950 -0.908 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 2.721 -4.066 -2.012 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.059 -3.955 -1.971 0.00 0.00 -0.269 N ATOM 12 H LIG 1 4.591 -3.191 -1.590 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.561 -5.058 -2.540 0.00 0.00 +0.440 A ATOM 14 O LIG 1 5.745 -5.313 -2.684 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 3.516 -5.856 -2.935 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 2.316 -5.162 -2.566 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 -2.899 -0.316 -0.006 0.00 0.00 -0.294 N ATOM 18 C LIG 1 -3.275 -0.167 1.424 0.00 0.00 +0.108 C ATOM 19 C LIG 1 -4.397 0.898 1.494 0.00 0.00 +0.027 C ATOM 20 C LIG 1 -5.581 0.551 0.594 0.00 0.00 +0.004 C ATOM 21 C LIG 1 -5.110 0.354 -0.842 0.00 0.00 +0.019 C ATOM 22 C LIG 1 -3.993 -0.682 -0.922 0.00 0.00 +0.108 C BRANCH 18 23 ATOM 23 C LIG 1 -3.601 -1.445 2.192 0.00 0.00 -0.009 A ATOM 24 C LIG 1 -3.980 -1.356 3.536 0.00 0.00 +0.116 A ATOM 25 N LIG 1 -4.268 -2.406 4.342 0.00 0.00 -0.263 NA ATOM 26 C LIG 1 -4.161 -3.632 3.795 0.00 0.00 +0.111 A ATOM 27 C LIG 1 -3.771 -3.850 2.488 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -3.482 -2.744 1.688 0.00 0.00 +0.008 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 N LIG 1 2.620 0.130 0.246 0.00 0.00 -0.324 N ATOM 30 H LIG 1 2.127 0.483 1.058 0.00 0.00 +0.148 HD BRANCH 29 32 ATOM 31 C LIG 1 4.830 0.198 -0.881 0.00 0.00 +0.028 C ATOM 32 C LIG 1 4.074 0.124 0.444 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 4.570 -1.036 1.306 0.00 0.00 +0.009 C ATOM 34 C LIG 1 5.971 -0.865 1.960 0.00 0.00 +0.005 C ATOM 35 C LIG 1 5.408 -1.605 3.190 0.00 0.00 +0.001 C ATOM 36 C LIG 1 4.013 -1.112 2.756 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 8 37 ATOM 37 C LIG 1 -0.396 1.279 0.232 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 0.077 2.176 -0.932 0.00 0.00 +0.009 C ATOM 39 C LIG 1 0.466 3.560 -0.373 0.00 0.00 +0.005 C ATOM 40 C LIG 1 0.336 4.653 -1.427 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.124 4.815 -1.884 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -1.173 5.486 -3.258 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -1.895 3.482 -1.881 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -0.968 2.284 -2.064 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 8