REMARK Name = BDB050432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.460 0.145 0.788 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -0.564 -0.384 -0.160 0.00 0.00 +0.008 A ATOM 3 C LIG 1 -0.860 -1.660 -0.686 0.00 0.00 -0.038 A ATOM 4 C LIG 1 0.033 -2.331 -1.694 0.00 0.00 +0.044 C ATOM 5 C LIG 1 -2.011 -2.325 -0.248 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -2.836 -1.719 0.683 0.00 0.00 +0.117 A ATOM 7 N LIG 1 -2.577 -0.513 1.204 0.00 0.00 -0.237 NA ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 0.645 0.336 -0.572 0.00 0.00 +0.008 A ATOM 9 C LIG 1 1.853 0.188 0.138 0.00 0.00 +0.054 A ATOM 10 C LIG 1 3.028 0.850 -0.219 0.00 0.00 +0.000 A ATOM 11 C LIG 1 4.030 0.465 0.715 0.00 0.00 +0.027 A ATOM 12 C LIG 1 3.458 -0.411 1.608 0.00 0.00 +0.083 A ATOM 13 C LIG 1 3.014 1.705 -1.337 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.830 1.867 -2.063 0.00 0.00 +0.001 A ATOM 15 N LIG 1 2.146 -0.573 1.252 0.00 0.00 -0.360 N ATOM 16 H LIG 1 1.476 -1.162 1.730 0.00 0.00 +0.165 HD ATOM 17 C LIG 1 0.669 1.193 -1.686 0.00 0.00 +0.010 A ENDBRANCH 2 8 BRANCH 6 18 ATOM 18 N LIG 1 -3.974 -2.367 1.152 0.00 0.00 -0.343 N ATOM 19 H LIG 1 -4.582 -2.644 0.391 0.00 0.00 +0.144 HD ATOM 20 H LIG 1 -4.436 -1.718 1.785 0.00 0.00 +0.144 HD ENDBRANCH 6 18 BRANCH 1 22 ATOM 21 C LIG 1 -2.025 2.587 0.646 0.00 0.00 +0.010 C ATOM 22 C LIG 1 -1.274 1.509 1.412 0.00 0.00 +0.053 C ENDBRANCH 1 22 TORSDOF 3