REMARK Name = BDB059769 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.970 2.018 -0.104 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.485 1.103 -1.011 0.00 0.00 -0.292 N ATOM 3 C LIG 1 0.854 -0.228 -0.904 0.00 0.00 +0.258 A ATOM 4 O LIG 1 0.645 -1.067 -1.779 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 1.530 -0.630 0.351 0.00 0.00 +0.047 A ATOM 6 C LIG 1 1.875 0.352 1.200 0.00 0.00 +0.049 A ATOM 7 C LIG 1 2.590 0.112 2.505 0.00 0.00 +0.066 C ATOM 8 N LIG 1 1.641 1.679 0.950 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 0.730 3.504 -0.360 0.00 0.00 +0.074 C BRANCH 9 10 ATOM 10 C LIG 1 1.336 4.430 0.697 0.00 0.00 +0.007 C BRANCH 10 12 ATOM 11 C LIG 1 1.659 6.822 1.420 0.00 0.00 +0.004 C ATOM 12 C LIG 1 1.060 5.898 0.373 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 2 13 ATOM 13 C LIG 1 -0.383 1.446 -2.141 0.00 0.00 +0.161 C BRANCH 13 14 ATOM 14 C LIG 1 -1.813 1.002 -1.887 0.00 0.00 -0.028 A ATOM 15 C LIG 1 -2.658 1.724 -1.035 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -3.926 1.236 -0.711 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -4.374 0.008 -1.220 0.00 0.00 -0.017 A ATOM 18 C LIG 1 -3.552 -0.682 -2.122 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -2.286 -0.193 -2.447 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 -5.643 -0.575 -0.766 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -5.724 -1.715 0.068 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -6.984 -2.243 0.404 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -8.157 -1.643 -0.053 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -8.087 -0.512 -0.857 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -6.843 0.014 -1.212 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 -4.553 -2.427 0.634 0.00 0.00 +0.183 A ATOM 27 N LIG 1 -3.392 -1.811 0.896 0.00 0.00 -0.271 N ATOM 28 H LIG 1 -3.117 -0.859 0.735 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 -2.553 -2.738 1.380 0.00 0.00 +0.440 A ATOM 30 O LIG 1 -1.388 -2.554 1.698 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 -3.225 -3.931 1.456 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 -4.543 -3.680 0.957 0.00 0.00 -0.054 NA ENDBRANCH 21 26 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 5 33 ATOM 33 C LIG 1 1.716 -2.111 0.548 0.00 0.00 +0.141 C BRANCH 33 34 ATOM 34 C LIG 1 2.980 -2.649 -0.016 0.00 0.00 +0.232 A ATOM 35 O LIG 1 2.890 -3.367 -1.174 0.00 0.00 -0.338 OA ATOM 36 N LIG 1 4.191 -3.761 -1.496 0.00 0.00 -0.061 NA ATOM 37 C LIG 1 4.924 -3.240 -0.503 0.00 0.00 +0.174 A ATOM 38 N LIG 1 4.210 -2.545 0.440 0.00 0.00 -0.196 NA BRANCH 37 39 ATOM 39 C LIG 1 6.405 -3.405 -0.432 0.00 0.00 +0.054 C ATOM 40 C LIG 1 6.819 -4.167 0.828 0.00 0.00 +0.015 C ATOM 41 C LIG 1 7.118 -2.053 -0.498 0.00 0.00 +0.015 C ENDBRANCH 37 39 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 10