REMARK Name = BDB060916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.361 0.207 -0.734 0.00 0.00 -0.013 A ATOM 2 C LIG 1 2.560 -0.841 -0.433 0.00 0.00 +0.055 A ATOM 3 C LIG 1 1.171 -0.642 -0.189 0.00 0.00 +0.140 A ATOM 4 N LIG 1 0.673 0.652 -0.290 0.00 0.00 -0.288 N ATOM 5 C LIG 1 -0.697 0.587 -0.030 0.00 0.00 +0.126 A ATOM 6 C LIG 1 -0.928 -0.758 0.249 0.00 0.00 +0.082 A ATOM 7 C LIG 1 1.488 1.746 -0.598 0.00 0.00 +0.095 A ATOM 8 N LIG 1 0.232 -1.498 0.138 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 2.800 1.556 -0.817 0.00 0.00 +0.027 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 9.999 -1.119 -1.033 0.00 0.00 +0.065 C ATOM 11 C LIG 1 8.739 -0.750 -1.713 0.00 0.00 +0.041 A ATOM 12 C LIG 1 7.455 -0.556 -1.273 0.00 0.00 +0.022 A ATOM 13 C LIG 1 6.659 -0.208 -2.425 0.00 0.00 +0.093 A ATOM 14 C LIG 1 5.285 0.053 -2.300 0.00 0.00 +0.038 A ATOM 15 C LIG 1 4.795 -0.061 -0.976 0.00 0.00 -0.016 A ATOM 16 C LIG 1 5.635 -0.407 0.140 0.00 0.00 +0.009 A ATOM 17 N LIG 1 7.443 -0.193 -3.514 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 7.016 -0.676 0.041 0.00 0.00 +0.012 A ATOM 19 N LIG 1 8.667 -0.521 -3.062 0.00 0.00 -0.281 N ATOM 20 H LIG 1 9.421 -0.571 -3.739 0.00 0.00 +0.189 HD ENDBRANCH 1 15 BRANCH 5 21 ATOM 21 N LIG 1 -1.472 1.715 -0.067 0.00 0.00 -0.326 N ATOM 22 H LIG 1 -1.084 2.559 -0.480 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.930 1.693 -0.113 0.00 0.00 +0.072 C ATOM 24 C LIG 1 -3.416 1.398 -1.537 0.00 0.00 +0.022 C ATOM 25 C LIG 1 -4.938 1.464 -1.632 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -5.476 2.804 -1.138 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -4.983 3.125 0.270 0.00 0.00 +0.002 C ATOM 28 C LIG 1 -3.460 3.056 0.361 0.00 0.00 +0.022 C ENDBRANCH 21 23 ENDBRANCH 5 21 BRANCH 6 29 ATOM 29 C LIG 1 -2.171 -1.481 0.645 0.00 0.00 +0.063 C BRANCH 29 30 ATOM 30 C LIG 1 -2.458 -1.348 2.142 0.00 0.00 +0.041 C BRANCH 30 31 ATOM 31 C LIG 1 -3.783 -1.971 2.513 0.00 0.00 -0.047 A ATOM 32 C LIG 1 -4.933 -1.179 2.632 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -6.160 -1.760 2.954 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.250 -3.136 3.156 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.113 -3.932 3.035 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.885 -3.353 2.714 0.00 0.00 +0.003 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 6 29 TORSDOF 6