REMARK Name = BDB044927 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.072 0.751 -0.910 0.00 0.00 +0.032 A ATOM 2 C LIG 1 2.181 1.561 -1.128 0.00 0.00 +0.043 A ATOM 3 C LIG 1 2.942 1.582 0.086 0.00 0.00 +0.010 A ATOM 4 C LIG 1 2.269 0.785 1.011 0.00 0.00 +0.047 A ATOM 5 C LIG 1 2.730 0.579 2.316 0.00 0.00 +0.026 A ATOM 6 C LIG 1 3.920 1.208 2.690 0.00 0.00 +0.002 A ATOM 7 C LIG 1 4.618 2.010 1.792 0.00 0.00 +0.001 A ATOM 8 C LIG 1 4.142 2.206 0.490 0.00 0.00 +0.011 A ATOM 9 N LIG 1 1.146 0.298 0.387 0.00 0.00 -0.357 N ATOM 10 H LIG 1 0.465 -0.310 0.825 0.00 0.00 +0.166 HD ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 2.495 2.255 -2.366 0.00 0.00 +0.261 C ATOM 12 O LIG 1 1.801 2.214 -3.378 0.00 0.00 -0.296 OA ENDBRANCH 2 11 BRANCH 1 13 ATOM 13 C LIG 1 -0.053 0.385 -1.840 0.00 0.00 +0.091 C BRANCH 13 21 ATOM 14 C LIG 1 -2.401 -3.920 -0.747 0.00 0.00 +0.149 C ATOM 15 N LIG 1 -2.068 -2.513 -0.769 0.00 0.00 -0.349 N ATOM 16 C LIG 1 -2.752 -1.528 -0.090 0.00 0.00 +0.049 A ATOM 17 C LIG 1 -2.125 -0.317 -0.392 0.00 0.00 +0.003 A ATOM 18 C LIG 1 -2.632 0.870 0.179 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -3.743 0.810 1.027 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -4.351 -0.409 1.311 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -1.026 -0.603 -1.265 0.00 0.00 -0.016 A ATOM 22 C LIG 1 -3.869 -1.599 0.759 0.00 0.00 +0.026 A ATOM 23 C LIG 1 -1.025 -1.970 -1.469 0.00 0.00 +0.090 A ENDBRANCH 13 21 ENDBRANCH 1 13 TORSDOF 3