REMARK Name = BDB059861 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.582 -5.967 -0.806 0.00 0.00 +0.065 C ATOM 2 C LIG 1 -1.561 -4.910 -0.456 0.00 0.00 +0.036 A ATOM 3 N LIG 1 -1.283 -3.558 -0.407 0.00 0.00 -0.323 N ATOM 4 C LIG 1 -2.440 -2.904 -0.018 0.00 0.00 +0.141 A ATOM 5 N LIG 1 -3.416 -3.772 0.167 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 -2.889 -5.003 -0.106 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.555 -1.465 0.198 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.639 -0.580 -0.880 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -2.713 0.800 -0.658 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -2.708 1.323 0.644 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -2.662 0.424 1.720 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -2.589 -0.957 1.500 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 C LIG 1 -2.745 2.764 0.879 0.00 0.00 +0.135 A ATOM 14 O LIG 1 -2.514 3.562 -0.210 0.00 0.00 -0.463 OA ATOM 15 C LIG 1 -2.576 4.851 0.210 0.00 0.00 +0.196 A ATOM 16 C LIG 1 -2.841 4.904 1.558 0.00 0.00 +0.042 A ATOM 17 C LIG 1 -2.948 3.560 1.991 0.00 0.00 +0.050 A ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 3 18 ATOM 18 C LIG 1 0.025 -2.935 -0.608 0.00 0.00 +0.162 C BRANCH 18 19 ATOM 19 C LIG 1 0.170 -2.232 -1.939 0.00 0.00 +0.014 A ATOM 20 C LIG 1 0.953 -1.071 -2.041 0.00 0.00 +0.125 A ATOM 21 C LIG 1 1.153 -0.438 -3.272 0.00 0.00 +0.046 A ATOM 22 C LIG 1 0.553 -0.946 -4.421 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -0.224 -2.099 -4.345 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -0.405 -2.743 -3.117 0.00 0.00 +0.009 A BRANCH 20 25 ATOM 25 O LIG 1 1.602 -0.586 -0.936 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 0.975 0.607 -0.437 0.00 0.00 +0.229 C BRANCH 26 27 ATOM 27 C LIG 1 2.048 1.579 0.055 0.00 0.00 +0.041 C BRANCH 27 28 ATOM 28 C LIG 1 2.870 1.004 1.213 0.00 0.00 +0.004 C BRANCH 28 29 ATOM 29 C LIG 1 3.998 1.932 1.673 0.00 0.00 +0.011 C BRANCH 29 30 ATOM 30 C LIG 1 3.500 3.233 2.295 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 C LIG 1 4.654 4.075 2.761 0.00 0.00 +0.305 C ATOM 32 O LIG 1 5.165 4.998 2.147 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 5.121 3.703 3.968 0.00 0.00 -0.481 OA ATOM 34 H LIG 1 5.862 4.323 4.136 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 18 19 ENDBRANCH 3 18 TORSDOF 12