REMARK Name = BDB011161 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.600 2.394 0.048 0.00 0.00 -0.261 N ATOM 2 C LIG 1 -1.871 1.209 -0.628 0.00 0.00 +0.333 A ATOM 3 O LIG 1 -2.900 1.075 -1.290 0.00 0.00 -0.246 OA ATOM 4 N LIG 1 -0.936 0.177 -0.476 0.00 0.00 -0.289 N ATOM 5 C LIG 1 0.423 0.497 -0.114 0.00 0.00 +0.070 A ATOM 6 C LIG 1 0.610 1.641 0.648 0.00 0.00 +0.082 A ATOM 7 C LIG 1 1.839 1.883 1.223 0.00 0.00 +0.126 A ATOM 8 N LIG 1 2.905 1.078 1.051 0.00 0.00 -0.254 NA ATOM 9 C LIG 1 2.802 0.047 0.197 0.00 0.00 +0.076 A ATOM 10 C LIG 1 3.953 -0.712 -0.061 0.00 0.00 -0.024 A ATOM 11 C LIG 1 3.945 -1.730 -1.024 0.00 0.00 +0.005 A ATOM 12 C LIG 1 2.795 -1.985 -1.748 0.00 0.00 +0.001 A ATOM 13 C LIG 1 1.639 -1.254 -1.481 0.00 0.00 +0.012 A ATOM 14 C LIG 1 5.238 -0.405 0.665 0.00 0.00 +0.046 C ATOM 15 C LIG 1 1.584 -0.266 -0.464 0.00 0.00 +0.025 A ATOM 16 C LIG 1 -0.469 2.611 0.813 0.00 0.00 +0.266 A ATOM 17 O LIG 1 -0.307 3.570 1.563 0.00 0.00 -0.267 OA ENDROOT BRANCH 4 18 ATOM 18 C LIG 1 -1.384 -1.234 -0.608 0.00 0.00 +0.092 C ATOM 19 C LIG 1 -2.899 -1.494 -0.436 0.00 0.00 +0.025 C ATOM 20 C LIG 1 -3.031 -2.989 -0.169 0.00 0.00 +0.002 C ATOM 21 C LIG 1 -1.700 -3.423 0.423 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -0.855 -2.159 0.509 0.00 0.00 +0.025 C ENDBRANCH 4 18 BRANCH 1 24 ATOM 23 C LIG 1 -2.371 4.406 -1.144 0.00 0.00 +0.027 C ATOM 24 C LIG 1 -2.611 3.448 0.014 0.00 0.00 +0.126 C ENDBRANCH 1 24 TORSDOF 2