REMARK Name = BDB009258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.985 -1.498 -3.100 0.00 0.00 -0.311 N ATOM 2 H LIG 1 -0.568 -1.087 -2.273 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 -1.900 -0.714 -3.776 0.00 0.00 +0.244 C ATOM 4 O LIG 1 -2.165 -0.842 -4.965 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -2.537 0.361 -2.973 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -2.857 0.167 -1.622 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -3.473 1.188 -0.880 0.00 0.00 -0.041 A ATOM 8 C LIG 1 -3.721 2.418 -1.505 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -3.412 2.608 -2.854 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -2.833 1.578 -3.593 0.00 0.00 +0.013 A BRANCH 7 11 ATOM 11 C LIG 1 -3.801 0.958 0.579 0.00 0.00 +0.092 C BRANCH 11 12 ATOM 12 C LIG 1 -5.120 1.576 1.035 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -6.411 0.883 0.728 0.00 0.00 -0.016 A ATOM 14 C LIG 1 -6.432 -0.401 -0.056 0.00 0.00 +0.037 C ATOM 15 C LIG 1 -7.830 -0.795 -0.544 0.00 0.00 +0.005 C ATOM 16 C LIG 1 -8.878 -0.577 0.541 0.00 0.00 +0.005 C ATOM 17 C LIG 1 -8.908 0.888 0.981 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -7.534 1.467 1.183 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -7.456 2.745 1.935 0.00 0.00 +0.268 A ATOM 20 O LIG 1 -8.457 3.303 2.371 0.00 0.00 -0.266 OA ATOM 21 N LIG 1 -6.200 3.260 2.112 0.00 0.00 -0.243 N ATOM 22 H LIG 1 -6.124 4.130 2.630 0.00 0.00 +0.192 HD ATOM 23 N LIG 1 -5.038 2.699 1.687 0.00 0.00 -0.175 NA ENDBRANCH 11 12 ENDBRANCH 7 11 ENDBRANCH 3 5 BRANCH 1 24 ATOM 24 C LIG 1 -0.167 -2.452 -3.829 0.00 0.00 +0.109 C BRANCH 24 25 ATOM 25 C LIG 1 0.592 -3.407 -2.904 0.00 0.00 +0.054 C BRANCH 25 29 ATOM 26 C LIG 1 3.434 -1.311 -0.397 0.00 0.00 -0.047 A ATOM 27 C LIG 1 2.269 -1.857 0.154 0.00 0.00 +0.004 A ATOM 28 C LIG 1 1.358 -2.543 -0.651 0.00 0.00 +0.004 A ATOM 29 C LIG 1 1.595 -2.698 -2.022 0.00 0.00 -0.046 A ATOM 30 C LIG 1 2.768 -2.165 -2.570 0.00 0.00 +0.004 A ATOM 31 C LIG 1 3.679 -1.478 -1.764 0.00 0.00 +0.004 A BRANCH 26 32 ATOM 32 C LIG 1 4.421 -0.572 0.473 0.00 0.00 +0.040 C BRANCH 32 33 ATOM 33 C LIG 1 5.590 -1.468 0.896 0.00 0.00 +0.040 C BRANCH 33 39 ATOM 34 C LIG 1 9.232 1.392 4.447 0.00 0.00 +0.044 C ATOM 35 C LIG 1 8.306 0.666 3.508 0.00 0.00 -0.048 A ATOM 36 C LIG 1 8.406 0.821 2.111 0.00 0.00 -0.047 A ATOM 37 C LIG 1 9.444 1.720 1.493 0.00 0.00 +0.044 C ATOM 38 C LIG 1 7.524 0.115 1.276 0.00 0.00 +0.007 A ATOM 39 C LIG 1 6.546 -0.738 1.807 0.00 0.00 -0.047 A ATOM 40 C LIG 1 6.451 -0.879 3.194 0.00 0.00 +0.004 A ATOM 41 C LIG 1 7.324 -0.187 4.034 0.00 0.00 +0.004 A ENDBRANCH 33 39 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9