REMARK Name = BDB062154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.985 1.168 1.962 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -0.139 0.473 0.930 0.00 0.00 -0.041 A ATOM 3 C LIG 1 -0.338 -0.875 0.558 0.00 0.00 +0.008 A ATOM 4 C LIG 1 0.516 -1.472 -0.399 0.00 0.00 -0.041 A ATOM 5 C LIG 1 0.398 -2.927 -0.771 0.00 0.00 +0.044 C ATOM 6 C LIG 1 1.527 -0.704 -0.998 0.00 0.00 +0.009 A ATOM 7 C LIG 1 1.710 0.643 -0.664 0.00 0.00 -0.033 A ATOM 8 C LIG 1 0.871 1.220 0.296 0.00 0.00 +0.009 A ENDROOT BRANCH 3 9 ATOM 9 C LIG 1 -1.407 -1.665 1.149 0.00 0.00 +0.097 A ATOM 10 C LIG 1 -2.755 -1.590 0.822 0.00 0.00 +0.077 A ATOM 11 N LIG 1 -3.326 -2.602 1.568 0.00 0.00 -0.333 N ATOM 12 C LIG 1 -4.703 -3.031 1.546 0.00 0.00 +0.150 C ATOM 13 C LIG 1 -2.346 -3.179 2.325 0.00 0.00 +0.200 A ATOM 14 N LIG 1 -1.173 -2.641 2.090 0.00 0.00 -0.235 NA BRANCH 10 15 ATOM 15 C LIG 1 -3.481 -0.743 -0.131 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -4.394 0.269 0.285 0.00 0.00 -0.007 A ATOM 17 C LIG 1 -5.085 1.028 -0.700 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.997 2.023 -0.269 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -6.224 2.281 1.082 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -5.540 1.556 2.043 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -4.832 0.765 -2.071 0.00 0.00 +0.059 A ATOM 22 C LIG 1 -3.919 -0.223 -2.457 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -4.639 0.567 1.648 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -3.252 -0.970 -1.494 0.00 0.00 +0.012 A BRANCH 21 25 ATOM 25 C LIG 1 -5.494 1.499 -3.115 0.00 0.00 +0.100 C ATOM 26 N LIG 1 -6.031 2.086 -3.960 0.00 0.00 -0.191 NA ENDBRANCH 21 25 ENDBRANCH 10 15 ENDBRANCH 3 9 BRANCH 7 27 ATOM 27 C LIG 1 2.794 1.462 -1.334 0.00 0.00 +0.119 C BRANCH 27 28 ATOM 28 N LIG 1 4.145 0.902 -1.160 0.00 0.00 -0.298 NA ATOM 29 C LIG 1 4.558 0.892 0.255 0.00 0.00 +0.086 C ATOM 30 C LIG 1 6.079 0.812 0.458 0.00 0.00 +0.034 C ATOM 31 C LIG 1 6.742 0.097 -0.715 0.00 0.00 +0.053 C ATOM 32 C LIG 1 6.459 0.846 -2.024 0.00 0.00 +0.034 C ATOM 33 C LIG 1 5.120 1.597 -1.999 0.00 0.00 +0.086 C BRANCH 31 34 ATOM 34 N LIG 1 8.188 -0.050 -0.515 0.00 0.00 -0.327 NA ATOM 35 H LIG 1 8.611 0.866 -0.375 0.00 0.00 +0.118 HD ATOM 36 H LIG 1 8.356 -0.572 0.345 0.00 0.00 +0.118 HD ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 7 27 TORSDOF 6