REMARK Name = BDB055500 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.182 1.639 3.680 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 0.880 -0.806 1.833 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.224 0.378 2.483 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.237 1.161 3.092 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -1.108 0.774 3.056 0.00 0.00 -0.045 A ATOM 6 C LIG 1 -1.443 -0.425 2.420 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -0.456 -1.208 1.817 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 1.737 -1.655 1.189 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 3.059 -1.192 0.895 0.00 0.00 +0.248 C BRANCH 9 10 ATOM 10 C LIG 1 3.074 -0.266 -0.331 0.00 0.00 +0.150 C BRANCH 10 12 ATOM 11 C LIG 1 4.380 1.839 -0.558 0.00 0.00 +0.134 C ATOM 12 N LIG 1 4.376 0.387 -0.490 0.00 0.00 -0.285 N BRANCH 12 13 ATOM 13 C LIG 1 5.371 -0.257 -1.146 0.00 0.00 +0.291 A ATOM 14 O LIG 1 5.239 -1.611 -1.324 0.00 0.00 -0.424 OA ATOM 15 C LIG 1 6.371 -1.976 -1.986 0.00 0.00 +0.157 A ATOM 16 C LIG 1 7.131 -0.837 -2.176 0.00 0.00 +0.111 A ATOM 17 C LIG 1 8.360 -0.945 -2.840 0.00 0.00 +0.031 A ATOM 18 C LIG 1 8.762 -2.215 -3.284 0.00 0.00 +0.002 A ATOM 19 C LIG 1 7.960 -3.343 -3.072 0.00 0.00 +0.004 A ATOM 20 C LIG 1 6.730 -3.250 -2.408 0.00 0.00 +0.048 A ATOM 21 N LIG 1 6.487 0.246 -1.637 0.00 0.00 -0.195 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 CA LIG 1 -2.730 2.772 2.788 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C LIG 1 -1.641 3.825 2.538 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -1.077 4.087 1.487 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -1.317 4.519 3.655 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 -0.651 5.162 3.330 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 N LIG 1 -3.274 2.290 1.504 0.00 0.00 -0.331 N ATOM 28 H LIG 1 -2.536 2.047 0.827 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.392 1.476 1.409 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -4.587 0.644 0.309 0.00 0.00 +0.051 A ATOM 31 C LIG 1 -3.681 0.396 -0.839 0.00 0.00 +0.196 C ATOM 32 C LIG 1 -4.357 -0.587 -1.710 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -5.584 -0.913 -1.112 0.00 0.00 -0.006 A ATOM 34 C LIG 1 -6.422 -1.826 -1.730 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -6.006 -2.396 -2.941 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.768 -2.054 -3.521 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -3.922 -1.135 -2.901 0.00 0.00 +0.012 A ATOM 38 O LIG 1 -2.586 0.883 -1.028 0.00 0.00 -0.287 OA ATOM 39 C LIG 1 -5.724 -0.168 0.121 0.00 0.00 -0.005 A ATOM 40 C LIG 1 -6.739 -0.152 1.058 0.00 0.00 +0.009 A ATOM 41 C LIG 1 -6.596 0.687 2.165 0.00 0.00 +0.002 A ATOM 42 C LIG 1 -5.447 1.491 2.331 0.00 0.00 +0.024 A ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 11