REMARK Name = BDB054732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.859 1.408 -0.378 0.00 0.00 +0.174 C ATOM 2 C LIG 1 0.107 2.553 -0.667 0.00 0.00 +0.052 C ENDROOT BRANCH 1 3 ATOM 3 O LIG 1 -2.123 1.747 -0.981 0.00 0.00 -0.489 OA BRANCH 3 7 ATOM 4 C LIG 1 -5.397 2.526 1.506 0.00 0.00 -0.047 A ATOM 5 C LIG 1 -5.545 1.830 0.299 0.00 0.00 +0.011 A ATOM 6 C LIG 1 -4.440 1.569 -0.533 0.00 0.00 -0.001 A ATOM 7 C LIG 1 -3.165 1.998 -0.128 0.00 0.00 +0.124 A ATOM 8 C LIG 1 -3.020 2.715 1.063 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -4.125 2.967 1.879 0.00 0.00 +0.007 A BRANCH 4 11 ATOM 10 C LIG 1 -6.829 1.626 3.357 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -6.588 2.779 2.394 0.00 0.00 +0.032 C ENDBRANCH 4 11 BRANCH 6 12 ATOM 12 C LIG 1 -4.652 0.828 -1.837 0.00 0.00 +0.074 C BRANCH 12 13 ATOM 13 C LIG 1 -4.231 -0.626 -1.833 0.00 0.00 -0.043 A ATOM 14 C LIG 1 -3.426 -1.123 -2.870 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.050 -2.467 -2.901 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -3.481 -3.334 -1.899 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -4.290 -2.858 -0.870 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -4.668 -1.514 -0.840 0.00 0.00 +0.004 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 3 7 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -0.425 0.071 -1.000 0.00 0.00 +0.085 C BRANCH 19 20 ATOM 20 C LIG 1 0.848 -0.520 -0.404 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 1.978 0.207 -0.879 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 3.210 -0.189 -0.441 0.00 0.00 +0.121 A ATOM 23 C LIG 1 3.475 -1.252 0.423 0.00 0.00 +0.049 A ATOM 24 C LIG 1 4.795 -1.568 0.804 0.00 0.00 -0.044 A ATOM 25 C LIG 1 5.015 -2.720 1.748 0.00 0.00 +0.044 C ATOM 26 C LIG 1 5.864 -0.787 0.318 0.00 0.00 -0.044 A ATOM 27 C LIG 1 5.584 0.275 -0.557 0.00 0.00 +0.007 A ATOM 28 C LIG 1 4.272 0.567 -0.930 0.00 0.00 +0.046 A BRANCH 26 29 ATOM 29 C LIG 1 7.305 -1.063 0.685 0.00 0.00 +0.046 C BRANCH 29 30 ATOM 30 C LIG 1 7.994 -2.038 -0.266 0.00 0.00 +0.125 C BRANCH 30 31 ATOM 31 C LIG 1 8.383 -1.389 -1.570 0.00 0.00 +0.305 C ATOM 32 O LIG 1 7.839 -1.613 -2.640 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 9.422 -0.531 -1.456 0.00 0.00 -0.481 OA ATOM 34 H LIG 1 9.795 -0.467 -0.557 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13