REMARK Name = BDB031848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.361 -0.579 -3.059 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.562 0.459 -2.541 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.543 0.135 -1.638 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.264 -1.164 -1.239 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.831 -1.048 -0.324 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -1.204 0.229 -0.184 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 1.042 -2.209 -1.770 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.358 0.912 -0.968 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.448 1.920 -1.007 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.072 -1.898 -2.673 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.079 1.581 0.071 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.715 0.749 -0.999 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.934 1.176 -2.300 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.681 0.561 -3.648 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.475 -0.271 -4.034 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.223 1.581 -4.623 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.692 2.648 -3.877 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.112 3.462 -4.297 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.230 1.464 -5.837 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.840 -0.913 -3.884 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.535 2.426 -2.508 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.908 3.268 -1.482 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.670 2.833 -0.174 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.126 1.857 2.437 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.806 1.056 1.306 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.379 -2.138 0.267 0.00 0.00 -0.295 N ATOM 27 H LIG 1 -1.050 -3.058 -0.015 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.422 -2.285 1.215 0.00 0.00 +0.075 A ATOM 29 C LIG 1 -2.910 -3.590 1.480 0.00 0.00 +0.141 A ATOM 30 C LIG 1 -3.959 -3.783 2.385 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -4.543 -2.686 3.021 0.00 0.00 +0.017 A ATOM 32 C LIG 1 -4.082 -1.396 2.752 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -3.005 -1.202 1.879 0.00 0.00 +0.040 A BRANCH 32 34 ATOM 34 C LIG 1 -4.699 -0.249 3.459 0.00 0.00 +0.247 C ATOM 35 N LIG 1 -4.979 0.917 2.746 0.00 0.00 -0.293 N ATOM 36 C LIG 1 -5.362 0.920 1.327 0.00 0.00 +0.136 C ATOM 37 C LIG 1 -5.077 2.280 0.685 0.00 0.00 +0.179 C ATOM 38 O LIG 1 -5.716 3.339 1.416 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -5.237 3.373 2.770 0.00 0.00 +0.179 C ATOM 40 C LIG 1 -5.515 2.053 3.495 0.00 0.00 +0.136 C ATOM 41 O LIG 1 -4.917 -0.368 4.663 0.00 0.00 -0.270 OA ENDBRANCH 32 34 BRANCH 29 42 ATOM 42 O LIG 1 -2.270 -4.596 0.790 0.00 0.00 -0.493 OA ATOM 43 C LIG 1 -2.723 -5.925 1.021 0.00 0.00 +0.277 C ENDBRANCH 29 42 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6