REMARK Name = BDB000362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.387 -1.477 -0.443 0.00 0.00 -0.003 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.045 -2.156 -1.811 0.00 0.00 -0.014 C ATOM 3 C LIG 1 -1.151 -1.560 -2.553 0.00 0.00 +0.007 C ATOM 4 C LIG 1 -0.147 -3.672 -1.673 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 0.886 -0.018 -0.592 0.00 0.00 +0.039 C BRANCH 5 6 ATOM 6 C LIG 1 2.131 0.135 -1.438 0.00 0.00 -0.043 A ATOM 7 C LIG 1 3.369 -0.340 -0.978 0.00 0.00 +0.053 A ATOM 8 C LIG 1 4.525 -0.210 -1.757 0.00 0.00 +0.162 A ATOM 9 C LIG 1 4.444 0.407 -3.021 0.00 0.00 +0.162 A ATOM 10 C LIG 1 3.212 0.888 -3.477 0.00 0.00 +0.049 A ATOM 11 C LIG 1 2.066 0.754 -2.690 0.00 0.00 +0.007 A BRANCH 9 12 ATOM 12 O LIG 1 5.620 0.499 -3.724 0.00 0.00 -0.491 OA ATOM 13 C LIG 1 5.569 1.077 -5.020 0.00 0.00 +0.277 C ENDBRANCH 9 12 BRANCH 8 14 ATOM 14 O LIG 1 5.772 -0.649 -1.387 0.00 0.00 -0.486 OA BRANCH 14 15 ATOM 15 C LIG 1 5.971 -1.185 -0.083 0.00 0.00 +0.257 C BRANCH 15 16 ATOM 16 C LIG 1 6.179 -0.081 0.952 0.00 0.00 +0.201 C BRANCH 16 17 ATOM 17 O LIG 1 6.369 -0.674 2.238 0.00 0.00 -0.374 OA BRANCH 17 18 ATOM 18 C LIG 1 6.564 0.292 3.272 0.00 0.00 +0.188 C BRANCH 18 19 ATOM 19 C LIG 1 8.009 0.793 3.333 0.00 0.00 +0.187 C BRANCH 19 20 ATOM 20 O LIG 1 8.202 1.746 4.378 0.00 0.00 -0.381 OA ATOM 21 C LIG 1 8.408 1.143 5.649 0.00 0.00 +0.194 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 C LIG 1 -0.718 -1.619 0.644 0.00 0.00 +0.025 C BRANCH 22 23 ATOM 23 C LIG 1 -1.898 -0.616 0.610 0.00 0.00 +0.080 C BRANCH 23 24 ATOM 24 N LIG 1 -1.615 0.564 1.443 0.00 0.00 -0.325 NA ATOM 25 H LIG 1 -1.943 0.367 2.394 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 -0.617 0.739 1.526 0.00 0.00 +0.119 HD ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 -3.220 -1.293 1.098 0.00 0.00 +0.132 C BRANCH 27 28 ATOM 28 O LIG 1 -3.079 -1.667 2.473 0.00 0.00 -0.390 OA ATOM 29 H LIG 1 -2.421 -2.380 2.525 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -4.434 -0.358 0.965 0.00 0.00 +0.045 C BRANCH 30 31 ATOM 31 C LIG 1 -5.798 -1.084 0.974 0.00 0.00 +0.074 C ATOM 32 C LIG 1 -6.050 -1.889 2.248 0.00 0.00 +0.017 C BRANCH 31 35 ATOM 33 N LIG 1 -6.950 0.487 -0.496 0.00 0.00 -0.315 N ATOM 34 H LIG 1 -6.212 0.266 -1.150 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -6.922 -0.065 0.769 0.00 0.00 +0.216 C ATOM 36 O LIG 1 -7.728 0.238 1.643 0.00 0.00 -0.276 OA BRANCH 33 37 ATOM 37 C LIG 1 -7.878 1.542 -0.848 0.00 0.00 +0.104 C BRANCH 37 38 ATOM 38 C LIG 1 -7.409 2.920 -0.380 0.00 0.00 +0.018 C BRANCH 38 40 ATOM 39 C LIG 1 -6.029 3.481 -2.455 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -6.053 3.363 -0.940 0.00 0.00 -0.002 C ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 33 37 ENDBRANCH 31 35 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 27 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 22