REMARK Name = BDB026913 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -2.356 0.602 1.272 0.00 0.00 -0.290 OA ATOM 2 C LIG 1 -1.511 0.316 0.413 0.00 0.00 +0.186 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -0.092 0.623 0.659 0.00 0.00 +0.044 A ATOM 4 C LIG 1 1.116 0.257 -0.035 0.00 0.00 +0.010 A ATOM 5 C LIG 1 2.182 0.860 0.642 0.00 0.00 +0.051 A ATOM 6 C LIG 1 3.525 0.737 0.245 0.00 0.00 +0.071 A ATOM 7 C LIG 1 3.808 -0.034 -0.883 0.00 0.00 +0.123 A ATOM 8 C LIG 1 2.775 -0.671 -1.564 0.00 0.00 +0.046 A ATOM 9 N LIG 1 1.659 1.536 1.717 0.00 0.00 -0.360 N ATOM 10 H LIG 1 2.206 2.050 2.395 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 1.439 -0.534 -1.159 0.00 0.00 +0.014 A ATOM 12 C LIG 1 0.303 1.402 1.736 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 O LIG 1 5.056 -0.272 -1.392 0.00 0.00 -0.487 OA BRANCH 13 14 ATOM 14 C LIG 1 6.119 0.605 -1.007 0.00 0.00 +0.264 C BRANCH 14 15 ATOM 15 C LIG 1 6.834 0.180 0.258 0.00 0.00 -0.010 A ATOM 16 C LIG 1 7.519 1.138 1.022 0.00 0.00 +0.007 A ATOM 17 C LIG 1 8.206 0.765 2.178 0.00 0.00 +0.000 A ATOM 18 C LIG 1 8.226 -0.569 2.578 0.00 0.00 +0.000 A ATOM 19 C LIG 1 7.563 -1.532 1.820 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.877 -1.161 0.662 0.00 0.00 +0.007 A ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 2 3 BRANCH 2 21 ATOM 21 C LIG 1 -1.955 -0.344 -0.916 0.00 0.00 +0.156 C BRANCH 21 22 ATOM 22 C LIG 1 -1.902 -1.868 -0.875 0.00 0.00 -0.023 A ATOM 23 C LIG 1 -1.750 -2.578 -2.081 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -1.704 -3.973 -2.091 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.824 -4.681 -0.899 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.002 -3.997 0.301 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -2.050 -2.600 0.313 0.00 0.00 +0.005 A ENDBRANCH 21 22 BRANCH 21 28 ATOM 28 N LIG 1 -3.342 0.065 -1.272 0.00 0.00 -0.303 NA ATOM 29 H LIG 1 -3.911 -0.063 -0.428 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.424 1.472 -1.680 0.00 0.00 +0.086 C BRANCH 30 31 ATOM 31 C LIG 1 -4.861 1.869 -2.054 0.00 0.00 +0.050 C BRANCH 31 32 ATOM 32 C LIG 1 -5.820 1.861 -0.885 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -5.814 2.909 0.048 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -6.690 2.890 1.134 0.00 0.00 +0.038 A ATOM 35 C LIG 1 -7.568 1.825 1.288 0.00 0.00 +0.123 A ATOM 36 F LIG 1 -8.409 1.810 2.331 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -7.587 0.776 0.378 0.00 0.00 +0.038 A ATOM 38 C LIG 1 -6.712 0.792 -0.709 0.00 0.00 +0.006 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 21 28 ENDBRANCH 2 21 TORSDOF 10