REMARK Name = BDB056027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.278 -1.637 -0.352 0.00 0.00 +0.094 A ATOM 2 N LIG 1 -0.878 -1.558 0.326 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 -1.834 -1.721 -0.603 0.00 0.00 -0.263 N ATOM 4 H LIG 1 -2.794 -1.740 -0.281 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 -1.353 -1.861 -1.874 0.00 0.00 +0.121 A ATOM 6 C LIG 1 0.017 -1.837 -1.737 0.00 0.00 +0.073 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 4.069 -1.311 1.657 0.00 0.00 +0.035 A ATOM 8 C LIG 1 2.883 -1.444 2.382 0.00 0.00 +0.024 A ATOM 9 C LIG 1 1.650 -1.540 1.725 0.00 0.00 +0.012 A ATOM 10 C LIG 1 1.576 -1.528 0.326 0.00 0.00 +0.002 A ATOM 11 C LIG 1 2.772 -1.423 -0.396 0.00 0.00 +0.012 A ATOM 12 C LIG 1 4.007 -1.323 0.263 0.00 0.00 +0.024 A BRANCH 7 16 ATOM 13 N LIG 1 6.666 -0.100 0.931 0.00 0.00 -0.251 N ATOM 14 H LIG 1 5.859 0.402 0.595 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.538 -0.877 2.040 0.00 0.00 +0.309 C ATOM 16 N LIG 1 5.265 -1.237 2.393 0.00 0.00 -0.269 N ATOM 17 H LIG 1 5.229 -1.576 3.348 0.00 0.00 +0.156 HD ATOM 18 O LIG 1 7.464 -1.222 2.773 0.00 0.00 -0.252 OA BRANCH 13 22 ATOM 19 C LIG 1 9.970 0.612 -0.196 0.00 0.00 +0.144 A ATOM 20 O LIG 1 9.168 1.396 -0.973 0.00 0.00 -0.357 OA ATOM 21 N LIG 1 7.847 1.200 -0.623 0.00 0.00 -0.063 NA ATOM 22 C LIG 1 7.856 0.308 0.372 0.00 0.00 +0.169 A ATOM 23 C LIG 1 9.174 -0.097 0.673 0.00 0.00 +0.092 A BRANCH 19 25 ATOM 24 C LIG 1 11.939 2.130 -0.158 0.00 0.00 +0.019 C ATOM 25 C LIG 1 11.449 0.702 -0.453 0.00 0.00 +0.023 C ATOM 26 C LIG 1 11.744 0.355 -1.924 0.00 0.00 +0.019 C ATOM 27 C LIG 1 12.224 -0.279 0.445 0.00 0.00 +0.019 C ENDBRANCH 19 25 ENDBRANCH 13 22 ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 5 28 ATOM 28 N LIG 1 -2.074 -2.049 -3.037 0.00 0.00 -0.267 N ATOM 29 H LIG 1 -1.556 -2.342 -3.860 0.00 0.00 +0.157 HD ATOM 30 C LIG 1 -3.436 -2.038 -3.237 0.00 0.00 +0.249 C ATOM 31 O LIG 1 -3.915 -2.499 -4.270 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -4.349 -1.432 -2.253 0.00 0.00 +0.037 A ATOM 33 C LIG 1 -4.216 -0.086 -1.897 0.00 0.00 +0.016 A ATOM 34 C LIG 1 -5.094 0.476 -0.963 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -6.111 -0.300 -0.403 0.00 0.00 +0.121 A ATOM 36 C LIG 1 -6.247 -1.639 -0.784 0.00 0.00 +0.046 A ATOM 37 C LIG 1 -5.377 -2.207 -1.716 0.00 0.00 +0.016 A BRANCH 35 38 ATOM 38 O LIG 1 -7.024 0.122 0.522 0.00 0.00 -0.491 OA BRANCH 38 39 ATOM 39 C LIG 1 -7.071 1.521 0.803 0.00 0.00 +0.244 C BRANCH 39 40 ATOM 40 C LIG 1 -8.226 1.814 1.782 0.00 0.00 +0.125 C BRANCH 40 41 ATOM 41 N LIG 1 -9.576 1.459 1.300 0.00 0.00 -0.295 NA ATOM 42 C LIG 1 -10.572 1.665 2.374 0.00 0.00 +0.112 C ATOM 43 C LIG 1 -11.998 1.354 1.894 0.00 0.00 +0.175 C ATOM 44 O LIG 1 -12.347 2.162 0.762 0.00 0.00 -0.377 OA ATOM 45 C LIG 1 -11.426 1.918 -0.308 0.00 0.00 +0.175 C ATOM 46 C LIG 1 -9.982 2.238 0.113 0.00 0.00 +0.112 C ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 5 28 TORSDOF 10