REMARK Name = BDB057515 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.151 0.753 -0.398 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.753 2.152 -0.881 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -1.268 2.457 -1.961 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -1.999 3.116 0.036 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -1.743 3.947 -0.412 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.619 0.613 -0.227 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.819 -0.064 0.522 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.527 0.428 -1.277 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.785 -0.178 -1.029 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -6.734 -0.347 -2.052 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -6.473 0.139 -3.328 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -5.272 0.791 -3.580 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.319 0.941 -2.564 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -6.099 -0.710 0.326 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -5.234 -1.334 0.940 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -7.428 -0.490 0.952 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -7.915 -1.453 1.843 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -9.156 -1.277 2.455 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -9.909 -0.133 2.188 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -9.419 0.839 1.315 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -8.177 0.666 0.700 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 -1.547 -0.377 -1.251 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 2.638 -1.046 -0.360 0.00 0.00 +0.121 A ATOM 24 C LIG 1 1.640 -1.636 0.419 0.00 0.00 +0.046 A ATOM 25 C LIG 1 0.289 -1.429 0.130 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -0.085 -0.622 -0.949 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.916 -0.028 -1.726 0.00 0.00 +0.007 A ATOM 28 C LIG 1 2.269 -0.238 -1.433 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 3.911 -1.333 0.044 0.00 0.00 -0.489 OA BRANCH 29 30 ATOM 30 C LIG 1 5.012 -0.860 -0.739 0.00 0.00 +0.270 C BRANCH 30 31 ATOM 31 C LIG 1 5.436 0.551 -0.322 0.00 0.00 +0.270 C BRANCH 31 32 ATOM 32 O LIG 1 6.013 0.563 0.988 0.00 0.00 -0.489 OA BRANCH 32 37 ATOM 33 C LIG 1 11.518 -0.353 2.029 0.00 0.00 +0.044 C ATOM 34 C LIG 1 10.065 -0.144 1.722 0.00 0.00 -0.050 A ATOM 35 C LIG 1 9.595 -0.240 0.408 0.00 0.00 +0.007 A ATOM 36 C LIG 1 8.244 -0.016 0.112 0.00 0.00 +0.046 A ATOM 37 C LIG 1 7.350 0.321 1.127 0.00 0.00 +0.121 A ATOM 38 C LIG 1 7.821 0.428 2.437 0.00 0.00 +0.046 A ATOM 39 C LIG 1 9.168 0.205 2.735 0.00 0.00 +0.007 A ENDBRANCH 32 37 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 13