REMARK Name = BDB007164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.206 -4.135 -0.141 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -2.991 -2.692 -0.444 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.754 -1.982 -0.354 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.996 -0.657 -0.721 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.972 0.307 -0.731 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.320 -0.088 -0.369 0.00 0.00 +0.015 A ATOM 7 C LIG 1 0.590 -1.411 -0.014 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -3.347 -0.559 -1.015 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.443 -2.358 0.010 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -3.955 -1.792 -0.875 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -5.404 -2.025 -1.142 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 1.956 -1.855 0.375 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.003 -1.189 -0.223 0.00 0.00 -0.305 N ATOM 14 H LIG 1 2.820 -0.563 -0.994 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 2.105 -2.781 1.163 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 4.387 -1.557 0.021 0.00 0.00 +0.100 C ATOM 17 C LIG 1 4.768 -2.822 -0.755 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.273 -0.362 -0.286 0.00 0.00 -0.027 A ATOM 19 C LIG 1 5.625 0.516 0.760 0.00 0.00 +0.009 A ATOM 20 C LIG 1 6.416 1.663 0.557 0.00 0.00 -0.044 A ATOM 21 C LIG 1 6.840 1.909 -0.759 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.492 1.065 -1.816 0.00 0.00 +0.001 A ATOM 23 C LIG 1 5.708 -0.061 -1.582 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 6.814 2.618 1.669 0.00 0.00 +0.019 C ATOM 25 C LIG 1 5.870 2.935 2.804 0.00 0.00 +0.009 C ATOM 26 C LIG 1 7.104 2.120 3.064 0.00 0.00 +0.009 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -4.012 0.667 -1.457 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -4.836 1.313 -0.366 0.00 0.00 -0.027 A ATOM 29 C LIG 1 -6.193 1.599 -0.582 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -6.950 2.227 0.418 0.00 0.00 +0.059 A ATOM 31 C LIG 1 -6.358 2.608 1.622 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -5.011 2.332 1.843 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.257 1.688 0.858 0.00 0.00 +0.005 A BRANCH 30 34 ATOM 34 C LIG 1 -8.382 2.530 0.205 0.00 0.00 +0.337 C ATOM 35 O LIG 1 -8.886 3.605 0.469 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -9.065 1.470 -0.278 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 -8.566 0.631 -0.260 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 8