REMARK Name = BDB057431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.111 0.828 0.255 0.00 0.00 +0.135 A ATOM 2 C LIG 1 -0.883 2.005 0.227 0.00 0.00 +0.040 A ATOM 3 C LIG 1 -2.255 1.826 0.445 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -3.081 2.944 0.443 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -2.585 4.232 0.222 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.230 4.417 -0.009 0.00 0.00 +0.001 A ATOM 7 N LIG 1 -2.808 0.628 0.651 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 -1.993 -0.439 0.637 0.00 0.00 +0.134 A ATOM 9 C LIG 1 -0.381 3.312 -0.010 0.00 0.00 +0.013 A ATOM 10 N LIG 1 -0.666 -0.379 0.463 0.00 0.00 -0.216 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -2.622 -1.797 0.847 0.00 0.00 +0.051 C ATOM 12 C LIG 1 -2.380 -2.703 -0.359 0.00 0.00 +0.015 C ATOM 13 C LIG 1 -2.106 -2.443 2.133 0.00 0.00 +0.015 C ENDBRANCH 8 11 BRANCH 1 14 ATOM 14 N LIG 1 1.296 0.923 0.092 0.00 0.00 -0.282 N ATOM 15 H LIG 1 1.661 1.595 0.753 0.00 0.00 +0.155 HD BRANCH 14 21 ATOM 16 C LIG 1 5.408 -1.742 -0.587 0.00 0.00 +0.065 C ATOM 17 C LIG 1 4.046 -1.169 -0.582 0.00 0.00 +0.035 A ATOM 18 N LIG 1 3.013 -1.726 -1.280 0.00 0.00 -0.280 N ATOM 19 H LIG 1 3.022 -2.557 -1.862 0.00 0.00 +0.189 HD ATOM 20 N LIG 1 1.863 -1.052 -1.167 0.00 0.00 -0.158 NA ATOM 21 C LIG 1 2.136 -0.050 -0.330 0.00 0.00 +0.146 A ATOM 22 C LIG 1 3.504 -0.068 0.043 0.00 0.00 +0.068 A ENDBRANCH 14 21 ENDBRANCH 1 14 TORSDOF 3