REMARK Name = BDB000349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.500 1.457 0.427 0.00 0.00 -0.003 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.920 2.517 -0.635 0.00 0.00 -0.014 C ATOM 3 C LIG 1 -2.636 3.722 -0.011 0.00 0.00 +0.007 C ATOM 4 C LIG 1 -2.735 1.986 -1.816 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 -2.626 0.976 1.390 0.00 0.00 +0.039 C BRANCH 5 6 ATOM 6 C LIG 1 -3.756 0.138 0.837 0.00 0.00 -0.043 A ATOM 7 C LIG 1 -5.028 0.702 0.646 0.00 0.00 +0.053 A ATOM 8 C LIG 1 -6.091 -0.060 0.146 0.00 0.00 +0.163 A ATOM 9 C LIG 1 -5.891 -1.421 -0.150 0.00 0.00 +0.162 A ATOM 10 C LIG 1 -4.635 -1.994 0.065 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -3.580 -1.220 0.557 0.00 0.00 +0.007 A BRANCH 9 12 ATOM 12 O LIG 1 -6.987 -2.106 -0.614 0.00 0.00 -0.491 OA ATOM 13 C LIG 1 -6.775 -3.425 -1.099 0.00 0.00 +0.277 C ENDBRANCH 9 12 BRANCH 8 14 ATOM 14 O LIG 1 -7.359 0.418 -0.083 0.00 0.00 -0.479 OA BRANCH 14 15 ATOM 15 C LIG 1 -7.636 1.786 0.186 0.00 0.00 +0.324 C BRANCH 15 16 ATOM 16 C LIG 1 -7.829 2.087 1.671 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -7.530 3.158 2.190 0.00 0.00 -0.272 OA ATOM 18 N LIG 1 -8.409 1.083 2.397 0.00 0.00 -0.327 N ATOM 19 H LIG 1 -8.372 0.138 2.030 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -8.441 1.203 3.400 0.00 0.00 +0.145 HD ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 C LIG 1 -0.680 0.256 -0.125 0.00 0.00 +0.025 C BRANCH 21 22 ATOM 22 C LIG 1 0.727 0.599 -0.677 0.00 0.00 +0.080 C BRANCH 22 23 ATOM 23 N LIG 1 0.615 1.194 -2.015 0.00 0.00 -0.325 NA ATOM 24 H LIG 1 1.519 1.583 -2.287 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 0.458 0.438 -2.687 0.00 0.00 +0.119 HD ENDBRANCH 22 23 BRANCH 22 26 ATOM 26 C LIG 1 1.631 -0.677 -0.726 0.00 0.00 +0.132 C BRANCH 26 27 ATOM 27 O LIG 1 1.142 -1.578 -1.725 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 0.208 -1.764 -1.529 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 3.095 -0.333 -1.045 0.00 0.00 +0.045 C BRANCH 29 30 ATOM 30 C LIG 1 4.092 -1.481 -0.771 0.00 0.00 +0.074 C ATOM 31 C LIG 1 3.953 -2.646 -1.752 0.00 0.00 +0.017 C BRANCH 30 34 ATOM 32 N LIG 1 6.465 -1.825 -0.318 0.00 0.00 -0.315 N ATOM 33 H LIG 1 6.155 -2.683 0.117 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 5.525 -0.943 -0.811 0.00 0.00 +0.216 C ATOM 35 O LIG 1 5.815 0.171 -1.236 0.00 0.00 -0.276 OA BRANCH 32 36 ATOM 36 C LIG 1 7.868 -1.475 -0.227 0.00 0.00 +0.104 C BRANCH 36 37 ATOM 37 C LIG 1 8.169 -0.696 1.051 0.00 0.00 +0.018 C BRANCH 37 39 ATOM 38 C LIG 1 9.960 0.416 2.431 0.00 0.00 +0.004 C ATOM 39 C LIG 1 9.655 -0.358 1.158 0.00 0.00 -0.002 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 18