REMARK Name = BDB057155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.600 -2.980 0.102 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -1.161 -2.009 -0.804 0.00 0.00 +0.004 A ATOM 3 C LIG 1 0.159 -1.548 -0.769 0.00 0.00 +0.009 A ATOM 4 C LIG 1 1.077 -2.045 0.169 0.00 0.00 -0.018 A ATOM 5 C LIG 1 0.627 -3.020 1.073 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -0.692 -3.483 1.041 0.00 0.00 +0.004 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.466 -1.560 0.203 0.00 0.00 -0.018 A ATOM 8 C LIG 1 3.030 -1.056 1.385 0.00 0.00 +0.012 A ATOM 9 C LIG 1 4.352 -0.591 1.423 0.00 0.00 +0.046 A ATOM 10 C LIG 1 5.139 -0.623 0.274 0.00 0.00 +0.122 A ATOM 11 C LIG 1 4.588 -1.118 -0.909 0.00 0.00 +0.046 A ATOM 12 C LIG 1 3.269 -1.582 -0.946 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 O LIG 1 6.434 -0.204 0.161 0.00 0.00 -0.477 OA BRANCH 13 14 ATOM 14 C LIG 1 7.124 0.235 1.328 0.00 0.00 +0.285 C BRANCH 14 15 ATOM 15 C LIG 1 6.800 1.643 1.833 0.00 0.00 +0.346 C ATOM 16 O LIG 1 7.178 2.112 2.899 0.00 0.00 -0.247 OA BRANCH 15 17 ATOM 17 O LIG 1 6.045 2.383 1.000 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 5.965 3.256 1.433 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 BRANCH 14 19 ATOM 19 C LIG 1 8.639 0.131 1.066 0.00 0.00 +0.091 C BRANCH 19 20 ATOM 20 C LIG 1 9.191 1.140 0.083 0.00 0.00 -0.043 A ATOM 21 C LIG 1 9.902 2.260 0.539 0.00 0.00 +0.004 A ATOM 22 C LIG 1 10.404 3.197 -0.366 0.00 0.00 +0.000 A ATOM 23 C LIG 1 10.200 3.025 -1.734 0.00 0.00 +0.000 A ATOM 24 C LIG 1 9.494 1.917 -2.198 0.00 0.00 +0.000 A ATOM 25 C LIG 1 8.992 0.979 -1.295 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 C LIG 1 -3.029 -3.479 0.072 0.00 0.00 +0.091 C BRANCH 26 27 ATOM 27 C LIG 1 -4.085 -2.491 0.606 0.00 0.00 +0.285 C BRANCH 27 29 ATOM 28 O LIG 1 -3.567 -0.884 2.416 0.00 0.00 -0.247 OA ATOM 29 C LIG 1 -3.726 -2.027 2.019 0.00 0.00 +0.346 C BRANCH 29 30 ATOM 30 O LIG 1 -3.649 -3.050 2.901 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 -3.420 -2.600 3.743 0.00 0.00 +0.295 HD ENDBRANCH 29 30 ENDBRANCH 27 29 BRANCH 27 32 ATOM 32 O LIG 1 -4.220 -1.431 -0.340 0.00 0.00 -0.477 OA BRANCH 32 33 ATOM 33 C LIG 1 -5.398 -0.744 -0.403 0.00 0.00 +0.122 A ATOM 34 C LIG 1 -5.509 0.114 -1.499 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -6.663 0.880 -1.695 0.00 0.00 +0.012 A ATOM 36 C LIG 1 -7.734 0.810 -0.794 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -7.606 -0.048 0.310 0.00 0.00 +0.012 A ATOM 38 C LIG 1 -6.449 -0.815 0.507 0.00 0.00 +0.046 A BRANCH 36 39 ATOM 39 C LIG 1 -8.950 1.614 -0.994 0.00 0.00 -0.018 A ATOM 40 C LIG 1 -10.219 1.012 -1.031 0.00 0.00 +0.008 A ATOM 41 C LIG 1 -11.374 1.775 -1.223 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -11.280 3.155 -1.381 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -10.032 3.773 -1.347 0.00 0.00 +0.001 A ATOM 44 C LIG 1 -8.878 3.008 -1.156 0.00 0.00 +0.008 A ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 14