REMARK Name = BDB012736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.947 1.212 -0.573 0.00 0.00 +0.165 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -0.655 1.546 -2.494 0.00 0.00 +0.011 C ATOM 3 C LIG 1 -0.418 0.828 -1.160 0.00 0.00 +0.031 C BRANCH 3 4 ATOM 4 C LIG 1 -0.483 -0.700 -1.314 0.00 0.00 +0.130 C BRANCH 4 5 ATOM 5 N LIG 1 -1.792 -1.202 -1.673 0.00 0.00 -0.314 N ATOM 6 C LIG 1 -2.861 -1.355 -0.838 0.00 0.00 +0.169 A ATOM 7 C LIG 1 -3.857 -1.876 -1.634 0.00 0.00 +0.172 A ATOM 8 C LIG 1 -5.144 -2.126 -1.025 0.00 0.00 +0.280 A ATOM 9 N LIG 1 -5.157 -1.799 0.324 0.00 0.00 -0.293 N ATOM 10 H LIG 1 -6.047 -1.907 0.779 0.00 0.00 +0.172 HD ATOM 11 C LIG 1 -4.082 -1.275 1.014 0.00 0.00 +0.195 A ATOM 12 O LIG 1 -6.136 -2.571 -1.593 0.00 0.00 -0.265 OA ATOM 13 N LIG 1 -3.424 -2.069 -2.922 0.00 0.00 -0.229 NA ATOM 14 N LIG 1 -2.914 -1.043 0.479 0.00 0.00 -0.196 NA ATOM 15 C LIG 1 -2.172 -1.657 -2.910 0.00 0.00 +0.201 A BRANCH 11 16 ATOM 16 N LIG 1 -4.291 -1.007 2.328 0.00 0.00 -0.329 N ATOM 17 H LIG 1 -4.896 -1.643 2.830 0.00 0.00 +0.145 HD ATOM 18 H LIG 1 -3.423 -0.820 2.821 0.00 0.00 +0.145 HD ENDBRANCH 11 16 ENDBRANCH 4 5 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 O LIG 1 0.988 2.612 -0.318 0.00 0.00 -0.367 OA BRANCH 19 20 ATOM 20 C LIG 1 2.288 3.091 0.058 0.00 0.00 +0.286 C BRANCH 20 21 ATOM 21 P LIG 1 2.466 3.186 1.840 0.00 0.00 +0.364 P ATOM 22 O LIG 1 3.711 3.844 2.343 0.00 0.00 -0.256 OA BRANCH 21 23 ATOM 23 O LIG 1 1.163 3.970 2.374 0.00 0.00 -0.322 OA ATOM 24 H LIG 1 1.252 4.237 3.308 0.00 0.00 +0.220 HD ENDBRANCH 21 23 BRANCH 21 25 ATOM 25 O LIG 1 2.220 1.726 2.439 0.00 0.00 -0.206 OA BRANCH 25 26 ATOM 26 P LIG 1 3.289 0.548 2.416 0.00 0.00 +0.490 P ATOM 27 O LIG 1 4.405 0.643 3.396 0.00 0.00 -0.227 OA BRANCH 26 28 ATOM 28 O LIG 1 2.358 -0.730 2.725 0.00 0.00 -0.302 OA ATOM 29 H LIG 1 2.297 -0.849 3.696 0.00 0.00 +0.222 HD ENDBRANCH 26 28 BRANCH 26 30 ATOM 30 O LIG 1 3.667 0.350 0.891 0.00 0.00 -0.186 OA BRANCH 30 31 ATOM 31 P LIG 1 4.035 -1.049 0.254 0.00 0.00 +0.481 P ATOM 32 O LIG 1 5.071 -1.879 0.921 0.00 0.00 -0.227 OA BRANCH 31 33 ATOM 33 O LIG 1 4.382 -0.688 -1.263 0.00 0.00 -0.302 OA ATOM 34 H LIG 1 4.827 -1.435 -1.704 0.00 0.00 +0.222 HD ENDBRANCH 31 33 BRANCH 31 35 ATOM 35 O LIG 1 2.623 -1.777 0.077 0.00 0.00 -0.302 OA ATOM 36 H LIG 1 2.308 -2.126 0.936 0.00 0.00 +0.222 HD ENDBRANCH 31 35 ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 15