REMARK Name = BDB054881 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.639 -1.873 -3.319 0.00 0.00 -0.029 A ATOM 2 C LIG 1 1.224 -1.167 -2.254 0.00 0.00 +0.028 A ATOM 3 C LIG 1 2.084 -1.793 -1.345 0.00 0.00 +0.034 A ATOM 4 C LIG 1 2.395 -3.138 -1.532 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.840 -3.849 -2.601 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.960 -3.224 -3.485 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.551 -1.006 -0.272 0.00 0.00 -0.281 N ATOM 8 H LIG 1 2.235 -0.039 -0.278 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 3.325 -1.410 0.796 0.00 0.00 +0.249 C ATOM 10 O LIG 1 3.811 -2.522 0.969 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 3.608 -0.367 1.812 0.00 0.00 +0.051 A ATOM 12 C LIG 1 2.663 0.595 2.228 0.00 0.00 +0.075 A ATOM 13 C LIG 1 3.065 1.525 3.176 0.00 0.00 +0.170 A ATOM 14 O LIG 1 2.043 2.379 3.441 0.00 0.00 -0.353 OA ATOM 15 N LIG 1 0.941 2.027 2.687 0.00 0.00 -0.062 NA ATOM 16 C LIG 1 4.327 1.572 3.766 0.00 0.00 +0.050 A ATOM 17 C LIG 1 5.239 0.595 3.365 0.00 0.00 +0.004 A ATOM 18 C LIG 1 1.306 0.953 1.984 0.00 0.00 +0.167 A ATOM 19 C LIG 1 4.888 -0.360 2.408 0.00 0.00 +0.014 A BRANCH 18 20 ATOM 20 N LIG 1 0.475 0.308 1.141 0.00 0.00 -0.340 N ATOM 21 H LIG 1 0.579 -0.696 1.002 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 -0.509 0.565 1.211 0.00 0.00 +0.144 HD ENDBRANCH 18 20 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 C LIG 1 -0.367 -1.192 -4.215 0.00 0.00 +0.141 C BRANCH 23 27 ATOM 24 N LIG 1 -3.000 -0.078 -1.989 0.00 0.00 -0.269 N ATOM 25 H LIG 1 -3.637 -0.801 -2.286 0.00 0.00 +0.156 HD ATOM 26 C LIG 1 -1.883 0.092 -2.776 0.00 0.00 +0.304 C ATOM 27 N LIG 1 -1.636 -1.043 -3.526 0.00 0.00 -0.295 N ATOM 28 H LIG 1 -2.011 -1.897 -3.144 0.00 0.00 +0.151 HD ATOM 29 O LIG 1 -1.165 1.082 -2.819 0.00 0.00 -0.252 OA BRANCH 24 34 ATOM 30 C LIG 1 -4.838 3.018 2.465 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -4.336 2.208 1.308 0.00 0.00 -0.050 A ATOM 32 C LIG 1 -3.106 2.507 0.713 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -2.649 1.774 -0.388 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -3.417 0.735 -0.916 0.00 0.00 +0.035 A ATOM 35 C LIG 1 -4.653 0.444 -0.329 0.00 0.00 +0.023 A ATOM 36 C LIG 1 -5.113 1.179 0.769 0.00 0.00 +0.005 A ENDBRANCH 24 34 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 6