REMARK Name = BDB006369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.025 3.408 -1.857 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.535 2.435 -0.840 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.087 1.145 -0.565 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.323 0.564 0.450 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.604 -0.724 0.942 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.687 -1.424 0.400 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.476 -0.856 -0.602 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.667 1.474 0.783 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.174 0.420 -1.098 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.541 2.617 0.016 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.460 3.785 0.138 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.636 -1.581 -1.192 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.292 -2.459 -0.355 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.109 -2.409 0.637 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 3.978 -1.360 -2.348 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.520 -3.106 -0.759 0.00 0.00 +0.140 C BRANCH 16 17 ATOM 17 C LIG 1 6.714 -2.410 -0.155 0.00 0.00 -0.027 A ATOM 18 C LIG 1 7.202 -1.227 -0.735 0.00 0.00 +0.054 A ATOM 19 C LIG 1 8.281 -0.608 -0.141 0.00 0.00 +0.167 A ATOM 20 O LIG 1 8.877 0.536 -0.569 0.00 0.00 -0.453 OA ATOM 21 C LIG 1 9.915 0.689 0.420 0.00 0.00 +0.466 C ATOM 22 O LIG 1 9.918 -0.355 1.416 0.00 0.00 -0.453 OA ATOM 23 C LIG 1 8.874 -1.116 0.991 0.00 0.00 +0.166 A ATOM 24 C LIG 1 8.421 -2.269 1.593 0.00 0.00 +0.050 A ATOM 25 C LIG 1 7.327 -2.920 1.013 0.00 0.00 +0.009 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 -1.664 1.268 1.836 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -3.040 0.952 1.299 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -3.247 -0.066 0.359 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -4.533 -0.362 -0.102 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.649 0.344 0.372 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -5.440 1.355 1.320 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.155 1.652 1.783 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -6.999 0.041 -0.124 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -7.679 -1.161 0.161 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -8.933 -1.432 -0.409 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -9.541 -0.496 -1.243 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -8.898 0.707 -1.517 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.640 0.970 -0.966 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -7.124 -2.202 1.047 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -7.073 -3.392 0.801 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -6.757 -1.704 2.240 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -6.429 -2.481 2.736 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 8