REMARK Name = BDB046277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -5.083 -2.107 -0.250 0.00 0.00 -0.267 OA ATOM 2 C LIG 1 -3.964 -1.619 -0.128 0.00 0.00 +0.257 A ATOM 3 C LIG 1 -3.767 -0.151 0.035 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -2.466 0.369 0.171 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.325 1.759 0.323 0.00 0.00 +0.011 A ATOM 6 C LIG 1 -3.442 2.600 0.338 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -4.722 2.066 0.202 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -1.320 -0.547 0.149 0.00 0.00 +0.097 A ATOM 9 C LIG 1 -1.540 -1.914 -0.004 0.00 0.00 +0.068 A ATOM 10 C LIG 1 -0.451 -2.768 -0.018 0.00 0.00 +0.031 A ATOM 11 C LIG 1 0.826 -2.222 0.117 0.00 0.00 +0.046 A ATOM 12 C LIG 1 0.994 -0.841 0.255 0.00 0.00 +0.122 A ATOM 13 N LIG 1 -0.077 -0.017 0.281 0.00 0.00 -0.230 NA ATOM 14 C LIG 1 -4.888 0.691 0.050 0.00 0.00 +0.014 A ATOM 15 N LIG 1 -2.840 -2.414 -0.137 0.00 0.00 -0.320 N ATOM 16 H LIG 1 -3.002 -3.406 -0.246 0.00 0.00 +0.169 HD ENDROOT BRANCH 12 17 ATOM 17 N LIG 1 2.280 -0.302 0.405 0.00 0.00 -0.313 N ATOM 18 C LIG 1 3.257 -0.745 -0.613 0.00 0.00 +0.121 C ATOM 19 C LIG 1 4.414 0.269 -0.790 0.00 0.00 +0.100 C ATOM 20 N LIG 1 4.862 0.862 0.481 0.00 0.00 -0.313 NA ATOM 21 H LIG 1 5.088 0.086 1.106 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 3.733 1.587 1.109 0.00 0.00 +0.100 C ATOM 23 C LIG 1 2.308 1.144 0.688 0.00 0.00 +0.121 C ENDBRANCH 12 17 TORSDOF 1