REMARK Name = BDB057288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.871 -2.067 0.293 0.00 0.00 +0.163 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.345 -3.460 -0.126 0.00 0.00 +0.237 C ATOM 3 N LIG 1 1.018 -3.671 -0.173 0.00 0.00 -0.288 N ATOM 4 C LIG 1 2.088 -2.699 0.082 0.00 0.00 +0.162 C ATOM 5 C LIG 1 3.386 -3.516 -0.002 0.00 0.00 +0.033 C ATOM 6 C LIG 1 2.932 -4.957 0.200 0.00 0.00 +0.021 C ATOM 7 C LIG 1 1.562 -4.985 -0.458 0.00 0.00 +0.109 C ATOM 8 O LIG 1 -1.146 -4.375 -0.359 0.00 0.00 -0.274 OA BRANCH 4 9 ATOM 9 C LIG 1 2.147 -1.561 -0.952 0.00 0.00 +0.234 C ATOM 10 N LIG 1 2.774 -0.429 -0.471 0.00 0.00 -0.302 N ATOM 11 H LIG 1 3.477 -0.566 0.251 0.00 0.00 +0.150 HD ATOM 12 O LIG 1 1.673 -1.647 -2.080 0.00 0.00 -0.274 OA BRANCH 10 13 ATOM 13 C LIG 1 3.009 0.724 -1.343 0.00 0.00 +0.163 C BRANCH 13 14 ATOM 14 C LIG 1 4.485 0.654 -1.772 0.00 0.00 +0.231 C ATOM 15 O LIG 1 5.333 0.024 -1.141 0.00 0.00 -0.274 OA ATOM 16 N LIG 1 4.832 1.367 -2.881 0.00 0.00 -0.328 N ATOM 17 H LIG 1 4.184 1.976 -3.368 0.00 0.00 +0.145 HD ATOM 18 H LIG 1 5.802 1.364 -3.170 0.00 0.00 +0.145 HD ENDBRANCH 13 14 BRANCH 13 19 ATOM 19 C LIG 1 2.719 2.021 -0.577 0.00 0.00 +0.067 C BRANCH 19 20 ATOM 20 C LIG 1 2.530 3.221 -1.474 0.00 0.00 -0.045 A ATOM 21 C LIG 1 3.520 4.207 -1.563 0.00 0.00 +0.004 A ATOM 22 C LIG 1 3.351 5.304 -2.411 0.00 0.00 +0.000 A ATOM 23 C LIG 1 2.190 5.428 -3.171 0.00 0.00 +0.000 A ATOM 24 C LIG 1 1.197 4.455 -3.083 0.00 0.00 +0.000 A ATOM 25 C LIG 1 1.363 3.356 -2.240 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 10 13 ENDBRANCH 4 9 ENDBRANCH 1 2 BRANCH 1 27 ATOM 26 C LIG 1 -2.550 -0.980 -1.185 0.00 0.00 +0.230 C ATOM 27 N LIG 1 -2.222 -1.946 -0.263 0.00 0.00 -0.302 N ATOM 28 H LIG 1 -2.724 -2.829 -0.307 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -1.792 -0.056 -1.487 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 -3.910 -1.161 -1.896 0.00 0.00 +0.137 C ATOM 31 C LIG 1 -4.981 -1.881 -1.086 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 -3.092 -3.045 -3.272 0.00 0.00 +0.101 C ATOM 33 N LIG 1 -3.730 -1.732 -3.249 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 -3.139 -1.085 -3.776 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 1 27 BRANCH 1 35 ATOM 35 C LIG 1 -0.900 -1.978 1.827 0.00 0.00 +0.067 C BRANCH 35 36 ATOM 36 C LIG 1 -1.139 -0.614 2.446 0.00 0.00 -0.045 A ATOM 37 C LIG 1 -1.610 -0.553 3.767 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -1.821 0.674 4.403 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -1.562 1.872 3.733 0.00 0.00 -0.036 A ATOM 40 C LIG 1 -1.080 1.820 2.421 0.00 0.00 +0.004 A ATOM 41 C LIG 1 -0.866 0.591 1.789 0.00 0.00 +0.004 A BRANCH 39 42 ATOM 42 C LIG 1 -1.823 3.193 4.410 0.00 0.00 +0.162 C BRANCH 42 43 ATOM 43 P LIG 1 -3.532 3.603 4.754 0.00 0.00 +0.332 P ATOM 44 O LIG 1 -4.291 2.682 5.649 0.00 0.00 -0.258 OA BRANCH 43 45 ATOM 45 O LIG 1 -3.514 5.123 5.279 0.00 0.00 -0.324 OA ATOM 46 H LIG 1 -2.811 5.689 4.910 0.00 0.00 +0.220 HD ENDBRANCH 43 45 BRANCH 43 47 ATOM 47 O LIG 1 -4.242 3.825 3.334 0.00 0.00 -0.324 OA ATOM 48 H LIG 1 -5.210 3.908 3.437 0.00 0.00 +0.220 HD ENDBRANCH 43 47 ENDBRANCH 42 43 ENDBRANCH 39 42 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 15