REMARK Name = BDB055508 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.508 -0.322 0.757 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.619 -0.503 -0.774 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -3.356 0.143 -1.508 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -1.805 -1.468 -1.274 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -1.210 -1.882 -0.617 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.746 0.257 1.345 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.903 1.202 0.949 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.934 -0.492 1.158 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -6.084 0.067 0.544 0.00 0.00 +0.054 A ATOM 10 C LIG 1 -6.098 1.479 0.074 0.00 0.00 +0.196 C ATOM 11 C LIG 1 -7.268 1.994 -0.663 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -8.393 1.197 -0.846 0.00 0.00 +0.033 A ATOM 13 C LIG 1 -8.425 -0.175 -0.311 0.00 0.00 +0.195 C ATOM 14 O LIG 1 -9.436 -0.859 -0.428 0.00 0.00 -0.287 OA ATOM 15 C LIG 1 -9.504 1.700 -1.538 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -9.481 2.999 -2.046 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -8.354 3.798 -1.864 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -7.248 3.299 -1.173 0.00 0.00 +0.012 A ATOM 19 O LIG 1 -5.154 2.231 0.304 0.00 0.00 -0.287 OA ATOM 20 C LIG 1 -7.228 -0.718 0.362 0.00 0.00 +0.035 A ATOM 21 C LIG 1 -7.257 -2.044 0.813 0.00 0.00 +0.012 A ATOM 22 C LIG 1 -6.146 -2.588 1.449 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -4.997 -1.816 1.622 0.00 0.00 +0.024 A ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 24 ATOM 24 C LIG 1 -1.336 0.627 1.076 0.00 0.00 +0.068 C BRANCH 24 28 ATOM 25 C LIG 1 2.491 -1.310 0.520 0.00 0.00 +0.121 A ATOM 26 C LIG 1 2.018 -0.406 -0.429 0.00 0.00 +0.046 A ATOM 27 C LIG 1 0.788 0.234 -0.241 0.00 0.00 +0.007 A ATOM 28 C LIG 1 0.014 -0.028 0.896 0.00 0.00 -0.045 A ATOM 29 C LIG 1 0.495 -0.933 1.849 0.00 0.00 +0.007 A ATOM 30 C LIG 1 1.723 -1.568 1.657 0.00 0.00 +0.046 A BRANCH 25 31 ATOM 31 O LIG 1 3.667 -2.004 0.457 0.00 0.00 -0.490 OA BRANCH 31 32 ATOM 32 C LIG 1 4.539 -1.712 -0.642 0.00 0.00 +0.248 C BRANCH 32 33 ATOM 33 C LIG 1 5.827 -2.538 -0.495 0.00 0.00 +0.150 C BRANCH 33 35 ATOM 34 C LIG 1 6.390 -2.268 1.923 0.00 0.00 +0.134 C ATOM 35 N LIG 1 6.732 -2.011 0.532 0.00 0.00 -0.285 N BRANCH 35 36 ATOM 36 C LIG 1 7.454 -0.892 0.282 0.00 0.00 +0.291 A ATOM 37 O LIG 1 7.568 -0.492 -1.026 0.00 0.00 -0.424 OA ATOM 38 C LIG 1 8.333 0.633 -0.968 0.00 0.00 +0.157 A ATOM 39 C LIG 1 8.643 0.862 0.361 0.00 0.00 +0.111 A ATOM 40 C LIG 1 9.429 1.973 0.692 0.00 0.00 +0.031 A ATOM 41 C LIG 1 9.868 2.806 -0.349 0.00 0.00 +0.002 A ATOM 42 C LIG 1 9.531 2.538 -1.682 0.00 0.00 +0.004 A ATOM 43 C LIG 1 8.746 1.431 -2.028 0.00 0.00 +0.048 A ATOM 44 N LIG 1 8.078 -0.111 1.142 0.00 0.00 -0.195 NA ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 25 31 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 11