REMARK Name = BDB001842 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.300 2.285 -1.662 0.00 0.00 -0.047 A ATOM 2 C LIG 1 0.798 2.593 -0.391 0.00 0.00 +0.004 A ATOM 3 C LIG 1 -0.441 2.101 0.024 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.204 1.292 -0.826 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -0.707 0.990 -2.100 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.533 1.481 -2.514 0.00 0.00 +0.004 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.640 2.815 -2.105 0.00 0.00 +0.035 C BRANCH 7 8 ATOM 8 C LIG 1 3.828 2.211 -1.349 0.00 0.00 +0.011 C BRANCH 8 9 ATOM 9 C LIG 1 3.998 0.711 -1.604 0.00 0.00 +0.059 C BRANCH 9 12 ATOM 10 C LIG 1 7.167 0.411 -2.731 0.00 0.00 +0.088 C ATOM 11 C LIG 1 6.508 0.071 -1.459 0.00 0.00 +0.126 A ATOM 12 C LIG 1 5.227 0.175 -0.961 0.00 0.00 +0.083 A ATOM 13 N LIG 1 5.196 -0.311 0.326 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 6.437 -0.690 0.565 0.00 0.00 +0.228 A ATOM 15 O LIG 1 7.292 -0.484 -0.488 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 7.005 -1.283 1.773 0.00 0.00 +0.037 A ATOM 17 C LIG 1 8.362 -1.631 1.864 0.00 0.00 +0.013 A ATOM 18 C LIG 1 8.877 -2.195 3.035 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.043 -2.418 4.128 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.694 -2.078 4.054 0.00 0.00 +0.001 A ATOM 21 C LIG 1 6.180 -1.515 2.884 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -2.548 0.762 -0.386 0.00 0.00 +0.054 C BRANCH 22 23 ATOM 23 C LIG 1 -3.737 1.637 -0.833 0.00 0.00 +0.132 C BRANCH 23 24 ATOM 24 C LIG 1 -5.095 0.934 -0.814 0.00 0.00 -0.033 A ATOM 25 C LIG 1 -5.353 -0.227 -0.062 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -6.626 -0.827 -0.039 0.00 0.00 -0.018 A ATOM 27 C LIG 1 -7.652 -0.235 -0.790 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -7.416 0.917 -1.540 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -6.149 1.496 -1.551 0.00 0.00 +0.004 A BRANCH 26 30 ATOM 30 C LIG 1 -6.875 -2.039 0.757 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -7.899 -2.077 1.718 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -8.132 -3.227 2.477 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -7.346 -4.360 2.285 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.327 -4.345 1.337 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.093 -3.194 0.580 0.00 0.00 +0.008 A ENDBRANCH 26 30 ENDBRANCH 23 24 BRANCH 23 36 ATOM 36 C LIG 1 -3.761 2.927 -0.015 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -3.285 3.985 -0.404 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -4.332 2.822 1.209 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -4.752 1.958 1.384 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 23 36 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 11