REMARK Name = BDB053960 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.760 2.372 -1.372 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -2.398 1.514 -0.455 0.00 0.00 +0.022 A ATOM 3 C LIG 1 -3.211 0.455 -0.915 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -3.363 0.301 -2.294 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -4.228 -0.750 -2.497 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -4.531 -1.073 -3.405 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -4.665 -1.261 -1.300 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -5.588 -2.285 -1.023 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -6.430 -3.118 -1.954 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -6.846 -4.273 -1.029 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -6.903 -3.698 0.394 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -5.867 -2.622 0.311 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -5.226 -1.951 1.318 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -5.317 -2.075 2.775 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -6.019 -2.857 3.385 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -4.457 -1.154 3.287 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -4.261 -1.068 4.279 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -3.768 -0.490 2.317 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -2.855 0.293 2.486 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -4.298 -0.953 1.035 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -2.725 1.129 -3.228 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -4.005 -0.554 -0.280 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -1.920 2.169 -2.745 0.00 0.00 +0.013 A ENDROOT BRANCH 1 24 ATOM 24 C LIG 1 -0.940 3.490 -0.814 0.00 0.00 +0.164 C ATOM 25 O LIG 1 -1.075 3.804 0.376 0.00 0.00 -0.292 OA BRANCH 24 26 ATOM 26 C LIG 1 0.107 4.184 -1.671 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 1.395 3.370 -1.724 0.00 0.00 +0.103 C BRANCH 27 30 ATOM 28 N LIG 1 1.822 2.638 0.558 0.00 0.00 -0.314 N ATOM 29 H LIG 1 0.904 2.203 0.495 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 2.191 3.523 -0.441 0.00 0.00 +0.213 C ATOM 31 O LIG 1 3.071 4.370 -0.317 0.00 0.00 -0.276 OA BRANCH 28 32 ATOM 32 C LIG 1 2.369 2.734 1.905 0.00 0.00 +0.123 C BRANCH 32 33 ATOM 33 C LIG 1 3.875 2.437 1.984 0.00 0.00 +0.126 C BRANCH 33 35 ATOM 34 C LIG 1 5.396 0.555 1.560 0.00 0.00 +0.401 C ATOM 35 N LIG 1 4.207 1.180 1.339 0.00 0.00 -0.280 N ATOM 36 H LIG 1 3.803 1.002 0.430 0.00 0.00 +0.152 HD ATOM 37 O LIG 1 6.168 0.809 2.471 0.00 0.00 -0.226 OA BRANCH 34 38 ATOM 38 O LIG 1 5.584 -0.373 0.588 0.00 0.00 -0.445 OA BRANCH 38 40 ATOM 39 C LIG 1 6.673 -2.015 -0.737 0.00 0.00 +0.055 C ATOM 40 C LIG 1 6.801 -1.167 0.544 0.00 0.00 +0.107 C ATOM 41 C LIG 1 8.049 -0.278 0.419 0.00 0.00 +0.055 C ATOM 42 C LIG 1 6.879 -2.109 1.752 0.00 0.00 +0.055 C ENDBRANCH 38 40 ENDBRANCH 34 38 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9