REMARK Name = BDB011668 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.115 0.872 -0.324 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.158 0.608 0.761 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -1.608 1.550 1.426 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.720 -0.674 0.796 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.911 -1.771 1.338 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.512 -1.742 1.425 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.182 -2.754 2.153 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.500 -3.815 2.739 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.870 -3.895 2.595 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.347 -0.826 0.696 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.561 -0.374 1.238 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.841 -0.396 2.436 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -1.557 -2.891 1.906 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.802 -0.311 -0.560 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.605 0.149 0.326 0.00 0.00 +0.037 A ATOM 16 C LIG 1 4.193 1.384 0.597 0.00 0.00 +0.016 A ATOM 17 C LIG 1 5.209 1.861 -0.234 0.00 0.00 +0.046 A ATOM 18 C LIG 1 5.657 1.105 -1.322 0.00 0.00 +0.120 A ATOM 19 C LIG 1 5.089 -0.147 -1.567 0.00 0.00 +0.046 A ATOM 20 C LIG 1 4.071 -0.631 -0.739 0.00 0.00 +0.016 A BRANCH 18 21 ATOM 21 O LIG 1 6.656 1.690 -2.051 0.00 0.00 -0.495 OA ATOM 22 C LIG 1 7.088 1.002 -3.218 0.00 0.00 +0.277 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 24 ATOM 23 C LIG 1 1.232 2.862 -0.922 0.00 0.00 +0.230 C ATOM 24 N LIG 1 0.594 2.104 0.032 0.00 0.00 -0.301 N ATOM 25 H LIG 1 0.329 2.534 0.914 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 1.349 2.485 -2.087 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 C LIG 1 1.728 4.238 -0.420 0.00 0.00 +0.137 C ATOM 28 C LIG 1 0.630 5.261 -0.710 0.00 0.00 +0.034 C BRANCH 27 30 ATOM 29 C LIG 1 3.565 5.835 -0.747 0.00 0.00 +0.101 C ATOM 30 N LIG 1 3.020 4.528 -1.064 0.00 0.00 -0.309 NA ATOM 31 H LIG 1 2.921 4.410 -2.075 0.00 0.00 +0.122 HD ENDBRANCH 27 30 ENDBRANCH 23 27 ENDBRANCH 1 24 BRANCH 4 32 ATOM 32 C LIG 1 -3.174 -0.645 1.066 0.00 0.00 +0.149 C BRANCH 32 33 ATOM 33 C LIG 1 -4.049 -1.616 0.268 0.00 0.00 -0.019 A ATOM 34 C LIG 1 -5.076 -2.380 0.933 0.00 0.00 -0.013 A ATOM 35 C LIG 1 -5.838 -3.308 0.177 0.00 0.00 -0.018 A ATOM 36 C LIG 1 -6.828 -4.097 0.788 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -7.102 -3.983 2.147 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.391 -3.072 2.909 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -5.617 -3.446 -1.194 0.00 0.00 +0.009 A ATOM 40 C LIG 1 -4.677 -2.656 -1.845 0.00 0.00 +0.004 A ATOM 41 C LIG 1 -5.400 -2.285 2.313 0.00 0.00 +0.009 A ATOM 42 C LIG 1 -3.910 -1.720 -1.141 0.00 0.00 -0.045 A ATOM 43 C LIG 1 -2.959 -0.875 -1.944 0.00 0.00 +0.044 C ENDBRANCH 32 33 ENDBRANCH 4 32 TORSDOF 7