REMARK Name = BDB059647 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.519 -0.579 -0.444 0.00 0.00 +0.045 A ATOM 2 C LIG 1 -0.006 -1.636 -1.398 0.00 0.00 +0.279 A ATOM 3 O LIG 1 -0.719 -2.377 -2.061 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 1.396 -1.722 -1.486 0.00 0.00 -0.179 N ATOM 5 C LIG 1 2.280 -0.931 -0.778 0.00 0.00 +0.156 A ATOM 6 C LIG 1 3.542 -1.327 -1.146 0.00 0.00 +0.114 A ATOM 7 C LIG 1 3.336 -2.360 -2.077 0.00 0.00 +0.156 A ATOM 8 N LIG 1 1.772 -0.005 0.064 0.00 0.00 -0.338 N ATOM 9 H LIG 1 2.365 0.613 0.621 0.00 0.00 +0.167 HD ATOM 10 N LIG 1 2.041 -2.611 -2.293 0.00 0.00 -0.169 NA ATOM 11 C LIG 1 0.405 0.159 0.222 0.00 0.00 +0.058 A ENDROOT BRANCH 11 12 ATOM 12 C LIG 1 0.017 1.212 1.173 0.00 0.00 +0.017 A ATOM 13 C LIG 1 -0.272 0.919 2.503 0.00 0.00 +0.120 A ATOM 14 N LIG 1 -0.628 1.846 3.422 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 -0.701 3.126 2.998 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -0.431 3.522 1.698 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -0.064 2.548 0.772 0.00 0.00 +0.013 A ENDBRANCH 11 12 BRANCH 1 19 ATOM 18 C LIG 1 -2.688 -0.009 -1.636 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -2.030 -0.432 -0.320 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -2.693 -1.685 0.258 0.00 0.00 +0.012 C ENDBRANCH 1 19 BRANCH 6 21 ATOM 21 C LIG 1 4.779 -0.801 -0.685 0.00 0.00 +0.104 C ATOM 22 N LIG 1 5.781 -0.361 -0.302 0.00 0.00 -0.191 NA ENDBRANCH 6 21 TORSDOF 3