REMARK Name = BDB004276 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.540 -0.541 -2.340 0.00 0.00 +0.006 C ATOM 2 C LIG 1 -0.467 0.364 -3.081 0.00 0.00 +0.024 C ATOM 3 C LIG 1 -1.836 0.391 -2.402 0.00 0.00 +0.105 C ATOM 4 N LIG 1 -2.408 -0.966 -2.303 0.00 0.00 -0.330 N ATOM 5 C LIG 1 -1.463 -2.088 -2.399 0.00 0.00 +0.105 C ATOM 6 C LIG 1 -0.163 -1.747 -1.680 0.00 0.00 +0.024 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.504 -1.046 -1.433 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -3.548 -1.896 -0.321 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -4.663 -1.939 0.529 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -5.783 -1.133 0.290 0.00 0.00 -0.039 A ATOM 11 C LIG 1 -5.748 -0.277 -0.817 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -4.630 -0.240 -1.658 0.00 0.00 +0.023 A BRANCH 10 13 ATOM 13 C LIG 1 -6.977 -1.187 1.237 0.00 0.00 +0.063 C ATOM 14 C LIG 1 -6.936 -0.092 2.337 0.00 0.00 +0.068 C ATOM 15 C LIG 1 -8.231 -0.186 3.156 0.00 0.00 +0.238 C ATOM 16 O LIG 1 -9.432 -0.056 2.393 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 -9.475 -0.765 1.224 0.00 0.00 +0.128 A ATOM 18 C LIG 1 -10.742 -0.889 0.650 0.00 0.00 +0.091 A ATOM 19 C LIG 1 -10.901 -1.599 -0.533 0.00 0.00 +0.120 A ATOM 20 C LIG 1 -9.810 -2.193 -1.153 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -8.541 -2.059 -0.584 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -8.349 -1.313 0.596 0.00 0.00 +0.003 A BRANCH 14 23 ATOM 23 C LIG 1 -6.601 1.331 1.889 0.00 0.00 -0.040 A ATOM 24 C LIG 1 -5.288 1.806 2.064 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -4.925 3.093 1.661 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.868 3.930 1.073 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -7.171 3.477 0.887 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -7.535 2.189 1.289 0.00 0.00 +0.004 A ENDBRANCH 14 23 BRANCH 19 29 ATOM 29 O LIG 1 -12.157 -1.699 -1.055 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 -12.111 -2.222 -1.872 0.00 0.00 +0.292 HD ENDBRANCH 19 29 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 31 ATOM 31 C LIG 1 1.356 0.271 -1.308 0.00 0.00 +0.088 C BRANCH 31 35 ATOM 32 N LIG 1 5.317 -0.067 -0.273 0.00 0.00 -0.327 N ATOM 33 C LIG 1 4.767 -1.325 -0.804 0.00 0.00 +0.120 C ATOM 34 C LIG 1 3.401 -1.068 -1.482 0.00 0.00 +0.103 C ATOM 35 N LIG 1 2.359 -0.523 -0.580 0.00 0.00 -0.299 NA ATOM 36 C LIG 1 2.973 0.253 0.522 0.00 0.00 +0.103 C ATOM 37 C LIG 1 4.333 0.920 0.205 0.00 0.00 +0.120 C BRANCH 32 41 ATOM 38 C LIG 1 9.482 0.409 0.546 0.00 0.00 +0.038 A ATOM 39 C LIG 1 8.614 1.504 0.470 0.00 0.00 +0.025 A ATOM 40 C LIG 1 7.242 1.339 0.204 0.00 0.00 +0.025 A ATOM 41 C LIG 1 6.665 0.081 0.001 0.00 0.00 +0.030 A ATOM 42 C LIG 1 7.540 -1.007 0.077 0.00 0.00 +0.025 A ATOM 43 C LIG 1 8.912 -0.851 0.350 0.00 0.00 +0.025 A BRANCH 38 50 ATOM 44 O LIG 1 14.485 1.357 2.443 0.00 0.00 -0.275 OA ATOM 45 C LIG 1 13.436 1.167 1.834 0.00 0.00 +0.222 C ATOM 46 N LIG 1 13.017 -0.093 1.506 0.00 0.00 -0.240 N ATOM 47 H LIG 1 13.583 -0.833 1.895 0.00 0.00 +0.159 HD ATOM 48 C LIG 1 11.699 -0.446 1.311 0.00 0.00 +0.313 C ATOM 49 O LIG 1 11.354 -1.577 1.639 0.00 0.00 -0.252 OA ATOM 50 N LIG 1 10.882 0.580 0.816 0.00 0.00 -0.255 N ATOM 51 C LIG 1 11.561 1.805 0.398 0.00 0.00 +0.124 C ATOM 52 C LIG 1 12.493 2.283 1.490 0.00 0.00 +0.115 C ENDBRANCH 38 50 ENDBRANCH 32 41 ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 8