REMARK Name = BDB026815 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.260 1.393 0.013 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.319 2.675 0.620 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.333 3.370 1.654 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.199 4.552 2.174 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.383 5.071 1.658 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.029 4.417 0.614 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.497 3.235 0.091 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 8 O LIG 1 -0.893 -0.061 -1.515 0.00 0.00 -0.290 OA ATOM 9 C LIG 1 -0.816 0.332 -0.345 0.00 0.00 +0.186 C BRANCH 9 10 ATOM 10 C LIG 1 -1.694 -0.242 0.692 0.00 0.00 +0.044 A ATOM 11 C LIG 1 -2.651 -1.304 0.515 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -3.266 -1.533 1.746 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -4.255 -2.507 1.935 0.00 0.00 +0.026 A ATOM 14 C LIG 1 -4.630 -3.275 0.830 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.038 -3.074 -0.413 0.00 0.00 +0.001 A ATOM 16 N LIG 1 -2.718 -0.650 2.642 0.00 0.00 -0.360 N ATOM 17 H LIG 1 -2.985 -0.582 3.615 0.00 0.00 +0.165 HD ATOM 18 C LIG 1 -3.052 -2.096 -0.583 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -1.771 0.124 2.025 0.00 0.00 +0.095 A ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 1 20 ATOM 20 N LIG 1 1.347 0.789 0.837 0.00 0.00 -0.303 NA ATOM 21 H LIG 1 0.931 0.443 1.702 0.00 0.00 +0.123 HD BRANCH 20 22 ATOM 22 C LIG 1 2.049 -0.324 0.184 0.00 0.00 +0.086 C BRANCH 22 23 ATOM 23 C LIG 1 2.864 0.075 -1.056 0.00 0.00 +0.050 C BRANCH 23 24 ATOM 24 C LIG 1 3.625 -1.100 -1.618 0.00 0.00 -0.043 A ATOM 25 C LIG 1 2.997 -2.008 -2.475 0.00 0.00 +0.023 A ATOM 26 C LIG 1 3.728 -3.084 -2.953 0.00 0.00 +0.111 A ATOM 27 N LIG 1 5.021 -3.315 -2.637 0.00 0.00 -0.263 NA ATOM 28 C LIG 1 5.607 -2.428 -1.806 0.00 0.00 +0.111 A ATOM 29 C LIG 1 4.960 -1.321 -1.275 0.00 0.00 +0.023 A ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 7