REMARK Name = BDB057545 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.201 -1.987 -1.957 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.952 -1.342 -0.849 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -3.893 -1.033 -1.102 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -3.922 -1.957 1.325 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.811 -1.811 0.464 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -1.545 -2.118 0.987 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -1.389 -2.588 2.295 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.499 -2.767 3.112 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.767 -2.456 2.630 0.00 0.00 +0.013 A BRANCH 4 10 ATOM 10 C LIG 1 -5.285 -1.666 0.816 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -5.539 -1.955 -0.355 0.00 0.00 -0.287 OA BRANCH 10 14 ATOM 12 C LIG 1 -8.677 -0.778 2.204 0.00 0.00 +0.121 A ATOM 13 C LIG 1 -7.664 -1.363 1.439 0.00 0.00 +0.057 A ATOM 14 C LIG 1 -6.323 -1.030 1.662 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -5.995 -0.081 2.635 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -7.005 0.504 3.399 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -8.342 0.153 3.188 0.00 0.00 +0.045 A BRANCH 12 19 ATOM 18 C LIG 1 -11.014 -0.620 2.624 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -9.941 -1.199 1.893 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 10 14 ENDBRANCH 4 10 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -3.089 -2.884 -2.839 0.00 0.00 +0.326 C ATOM 21 O LIG 1 -2.723 -3.330 -3.922 0.00 0.00 -0.249 OA BRANCH 20 22 ATOM 22 OXT LIG 1 -4.303 -3.200 -2.341 0.00 0.00 -0.479 OA ATOM 23 HXT LIG 1 -4.533 -2.792 -1.471 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 24 ATOM 24 C LIG 1 -1.566 -0.896 -2.842 0.00 0.00 +0.068 C BRANCH 24 25 ATOM 25 C LIG 1 -0.355 -0.253 -2.201 0.00 0.00 -0.045 A ATOM 26 C LIG 1 0.921 -0.800 -2.388 0.00 0.00 +0.007 A ATOM 27 C LIG 1 2.042 -0.224 -1.778 0.00 0.00 +0.046 A ATOM 28 C LIG 1 1.900 0.906 -0.973 0.00 0.00 +0.121 A ATOM 29 C LIG 1 0.628 1.450 -0.783 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -0.493 0.878 -1.390 0.00 0.00 +0.007 A BRANCH 28 31 ATOM 31 O LIG 1 2.901 1.573 -0.325 0.00 0.00 -0.490 OA BRANCH 31 32 ATOM 32 C LIG 1 4.243 1.097 -0.454 0.00 0.00 +0.248 C BRANCH 32 33 ATOM 33 C LIG 1 4.912 1.648 -1.720 0.00 0.00 +0.150 C BRANCH 33 34 ATOM 34 N LIG 1 6.246 1.075 -1.904 0.00 0.00 -0.285 N ATOM 35 C LIG 1 6.488 0.310 -3.116 0.00 0.00 +0.134 C BRANCH 34 36 ATOM 36 C LIG 1 7.317 1.673 -1.329 0.00 0.00 +0.291 A ATOM 37 O LIG 1 7.072 2.580 -0.329 0.00 0.00 -0.424 OA ATOM 38 C LIG 1 8.311 2.998 0.054 0.00 0.00 +0.157 A ATOM 39 C LIG 1 9.240 2.328 -0.722 0.00 0.00 +0.111 A ATOM 40 C LIG 1 10.602 2.583 -0.520 0.00 0.00 +0.031 A ATOM 41 C LIG 1 10.961 3.516 0.465 0.00 0.00 +0.002 A ATOM 42 C LIG 1 9.987 4.173 1.230 0.00 0.00 +0.004 A ATOM 43 C LIG 1 8.622 3.926 1.041 0.00 0.00 +0.048 A ATOM 44 N LIG 1 8.595 1.491 -1.595 0.00 0.00 -0.195 NA ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 14