REMARK Name = BDB048240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.531 -1.289 -0.009 0.00 0.00 +0.002 A ATOM 2 C LIG 1 -1.728 -1.272 -0.749 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -2.865 -0.585 -0.264 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -2.757 0.081 0.957 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -3.970 0.672 1.213 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -4.175 1.222 2.034 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -4.865 0.411 0.207 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -6.204 0.802 0.052 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -7.074 1.661 0.930 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -8.471 1.305 0.403 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -8.306 0.939 -1.081 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -6.914 0.399 -1.089 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -6.280 -0.365 -2.033 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -6.755 -0.917 -3.300 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -7.871 -0.787 -3.761 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -5.706 -1.597 -3.835 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -5.754 -2.108 -4.701 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -4.603 -1.571 -3.034 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -3.547 -2.131 -3.247 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -4.955 -0.758 -1.870 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -1.581 0.094 1.713 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -4.200 -0.382 -0.746 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -0.477 -0.600 1.208 0.00 0.00 +0.012 A ENDROOT BRANCH 1 27 ATOM 24 C LIG 1 2.827 -2.486 -0.521 0.00 0.00 +0.096 A ATOM 25 S LIG 1 2.234 -3.608 -1.679 0.00 0.00 -0.078 S ATOM 26 C LIG 1 0.645 -3.015 -1.421 0.00 0.00 +0.075 A ATOM 27 C LIG 1 0.656 -2.002 -0.480 0.00 0.00 +0.078 A ATOM 28 N LIG 1 1.914 -1.710 0.035 0.00 0.00 -0.242 NA BRANCH 24 29 ATOM 29 C LIG 1 4.292 -2.444 -0.206 0.00 0.00 +0.170 C BRANCH 29 32 ATOM 30 O LIG 1 6.782 -1.788 0.967 0.00 0.00 -0.226 OA ATOM 31 C LIG 1 5.792 -1.109 1.200 0.00 0.00 +0.401 C ATOM 32 N LIG 1 4.555 -1.358 0.706 0.00 0.00 -0.275 N ATOM 33 H LIG 1 3.804 -0.720 0.935 0.00 0.00 +0.152 HD BRANCH 31 34 ATOM 34 O LIG 1 5.746 -0.008 1.983 0.00 0.00 -0.446 OA BRANCH 34 35 ATOM 35 C LIG 1 6.991 0.385 2.569 0.00 0.00 +0.269 C BRANCH 35 36 ATOM 36 C LIG 1 7.647 1.444 1.721 0.00 0.00 -0.010 A ATOM 37 C LIG 1 7.229 2.780 1.800 0.00 0.00 +0.007 A ATOM 38 C LIG 1 7.830 3.757 1.004 0.00 0.00 +0.000 A ATOM 39 C LIG 1 8.847 3.407 0.117 0.00 0.00 +0.000 A ATOM 40 C LIG 1 9.260 2.079 0.020 0.00 0.00 +0.000 A ATOM 41 C LIG 1 8.660 1.101 0.815 0.00 0.00 +0.007 A ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 29 32 ENDBRANCH 24 29 ENDBRANCH 1 27 TORSDOF 6