REMARK Name = BDB029411 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.982 -0.328 -0.556 0.00 0.00 +0.000 A ATOM 2 C LIG 1 0.259 0.861 -0.592 0.00 0.00 +0.121 A ATOM 3 N LIG 1 -1.095 0.953 -0.570 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 -1.812 -0.188 -0.505 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -1.172 -1.427 -0.481 0.00 0.00 +0.044 A ATOM 6 C LIG 1 0.223 -1.497 -0.503 0.00 0.00 +0.013 A ENDROOT BRANCH 1 14 ATOM 7 O LIG 1 8.044 0.858 0.890 0.00 0.00 -0.275 OA ATOM 8 C LIG 1 6.918 0.562 0.529 0.00 0.00 +0.222 C ATOM 9 N LIG 1 6.598 -0.302 -0.511 0.00 0.00 -0.285 N ATOM 10 H LIG 1 7.299 -0.768 -1.068 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 5.227 -0.423 -0.661 0.00 0.00 +0.037 A ATOM 12 C LIG 1 4.580 0.366 0.284 0.00 0.00 -0.017 A ATOM 13 C LIG 1 3.197 0.415 0.338 0.00 0.00 +0.014 A ATOM 14 C LIG 1 2.452 -0.351 -0.580 0.00 0.00 -0.016 A ATOM 15 C LIG 1 3.145 -1.145 -1.530 0.00 0.00 +0.010 A ATOM 16 C LIG 1 4.543 -1.187 -1.578 0.00 0.00 +0.024 A ATOM 17 C LIG 1 5.600 1.066 1.131 0.00 0.00 +0.133 C ENDBRANCH 1 14 BRANCH 4 18 ATOM 18 N LIG 1 -3.225 -0.142 -0.491 0.00 0.00 -0.315 N ATOM 19 C LIG 1 -3.743 1.179 -0.886 0.00 0.00 +0.106 C ATOM 20 C LIG 1 -5.264 1.111 -1.022 0.00 0.00 +0.019 C ATOM 21 C LIG 1 -5.910 0.609 0.267 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -5.294 -0.720 0.694 0.00 0.00 +0.019 C ATOM 23 C LIG 1 -3.770 -0.626 0.788 0.00 0.00 +0.106 C ENDBRANCH 4 18 TORSDOF 2