REMARK Name = BDB055501 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 2.853 0.174 4.112 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 3.559 -0.268 5.407 0.00 0.00 +0.326 C ATOM 3 O LIG 1 3.124 -1.072 6.217 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 4.742 0.384 5.580 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 4.875 0.956 4.783 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 3.878 0.873 3.270 0.00 0.00 -0.331 N ATOM 7 H LIG 1 4.536 0.192 2.849 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 3.446 1.762 2.262 0.00 0.00 +0.038 A ATOM 9 C LIG 1 4.074 1.792 0.983 0.00 0.00 +0.039 A ATOM 10 C LIG 1 3.697 2.771 0.048 0.00 0.00 +0.013 A ATOM 11 C LIG 1 2.708 3.708 0.352 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.087 3.681 1.595 0.00 0.00 +0.002 A ATOM 13 C LIG 1 2.457 2.723 2.540 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 5.121 0.765 0.629 0.00 0.00 +0.169 C ATOM 15 O LIG 1 5.633 0.086 1.526 0.00 0.00 -0.292 OA BRANCH 14 16 ATOM 16 C LIG 1 5.483 0.496 -0.823 0.00 0.00 +0.114 C BRANCH 16 17 ATOM 17 C LIG 1 4.573 -0.532 -1.451 0.00 0.00 -0.040 A ATOM 18 C LIG 1 4.713 -1.888 -1.106 0.00 0.00 +0.004 A ATOM 19 C LIG 1 3.871 -2.850 -1.659 0.00 0.00 +0.000 A ATOM 20 C LIG 1 2.878 -2.470 -2.562 0.00 0.00 +0.000 A ATOM 21 C LIG 1 2.730 -1.126 -2.913 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.570 -0.159 -2.359 0.00 0.00 +0.004 A ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 23 ATOM 23 C LIG 1 2.248 -1.058 3.409 0.00 0.00 +0.068 C BRANCH 23 27 ATOM 24 C LIG 1 -0.913 0.032 0.659 0.00 0.00 +0.121 A ATOM 25 C LIG 1 0.338 -0.361 0.183 0.00 0.00 +0.046 A ATOM 26 C LIG 1 1.356 -0.738 1.062 0.00 0.00 +0.007 A ATOM 27 C LIG 1 1.140 -0.705 2.443 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -0.117 -0.310 2.919 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -1.136 0.058 2.032 0.00 0.00 +0.046 A BRANCH 24 30 ATOM 30 O LIG 1 -1.806 0.374 -0.315 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 -3.184 0.534 0.028 0.00 0.00 +0.248 C BRANCH 31 32 ATOM 32 C LIG 1 -3.907 -0.815 0.161 0.00 0.00 +0.150 C BRANCH 32 34 ATOM 33 C LIG 1 -2.988 -2.173 -1.722 0.00 0.00 +0.134 C ATOM 34 N LIG 1 -4.119 -1.482 -1.126 0.00 0.00 -0.285 N BRANCH 34 35 ATOM 35 C LIG 1 -5.089 -1.054 -1.967 0.00 0.00 +0.291 A ATOM 36 O LIG 1 -5.996 -0.146 -1.476 0.00 0.00 -0.424 OA ATOM 37 C LIG 1 -6.831 0.095 -2.526 0.00 0.00 +0.157 A ATOM 38 C LIG 1 -6.397 -0.673 -3.593 0.00 0.00 +0.111 A ATOM 39 C LIG 1 -7.094 -0.600 -4.806 0.00 0.00 +0.031 A ATOM 40 C LIG 1 -8.210 0.250 -4.877 0.00 0.00 +0.002 A ATOM 41 C LIG 1 -8.619 1.006 -3.771 0.00 0.00 +0.004 A ATOM 42 C LIG 1 -7.930 0.945 -2.553 0.00 0.00 +0.048 A ATOM 43 N LIG 1 -5.289 -1.390 -3.228 0.00 0.00 -0.195 NA ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 14