REMARK Name = BDB060914 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.637 -2.036 -0.003 0.00 0.00 -0.008 A ATOM 2 C LIG 1 3.447 -0.769 -0.444 0.00 0.00 +0.055 A ATOM 3 C LIG 1 2.232 -0.075 -0.178 0.00 0.00 +0.140 A ATOM 4 N LIG 1 1.237 -0.761 0.508 0.00 0.00 -0.288 N ATOM 5 C LIG 1 0.151 0.097 0.598 0.00 0.00 +0.127 A ATOM 6 C LIG 1 0.604 1.298 0.073 0.00 0.00 +0.082 A ATOM 7 C LIG 1 1.413 -2.055 0.995 0.00 0.00 +0.095 A ATOM 8 N LIG 1 1.873 1.161 -0.447 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 2.569 -2.698 0.761 0.00 0.00 +0.027 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 4.990 -2.735 -2.880 0.00 0.00 +0.070 C ATOM 11 C LIG 1 5.461 -3.049 -1.510 0.00 0.00 +0.088 A ATOM 12 C LIG 1 4.854 -2.739 -0.264 0.00 0.00 +0.047 A ATOM 13 C LIG 1 5.713 -3.270 0.672 0.00 0.00 +0.142 A ATOM 14 C LIG 1 5.744 -3.322 2.146 0.00 0.00 +0.090 C ATOM 15 O LIG 1 6.757 -3.862 0.032 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 6.604 -3.723 -1.335 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 5 17 ATOM 17 N LIG 1 -1.028 -0.258 1.202 0.00 0.00 -0.323 N ATOM 18 H LIG 1 -1.435 0.517 1.731 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.126 -0.839 0.383 0.00 0.00 +0.034 C ATOM 20 C LIG 1 -2.757 0.231 -0.541 0.00 0.00 +0.029 C ATOM 21 C LIG 1 -3.956 -0.354 -1.308 0.00 0.00 -0.008 C ATOM 22 C LIG 1 -5.016 -0.833 -0.303 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.421 -1.915 0.613 0.00 0.00 -0.008 C ATOM 24 C LIG 1 -3.949 -3.101 -0.242 0.00 0.00 +0.007 C ATOM 25 C LIG 1 -2.882 -2.633 -1.244 0.00 0.00 -0.008 C ATOM 26 C LIG 1 -3.481 -1.547 -2.154 0.00 0.00 +0.007 C ATOM 27 C LIG 1 -3.219 -1.328 1.372 0.00 0.00 +0.029 C ATOM 28 C LIG 1 -1.684 -2.049 -0.473 0.00 0.00 +0.029 C ENDBRANCH 17 19 ENDBRANCH 5 17 BRANCH 6 29 ATOM 29 C LIG 1 -0.086 2.616 -0.010 0.00 0.00 +0.063 C BRANCH 29 30 ATOM 30 C LIG 1 0.651 3.700 0.781 0.00 0.00 +0.041 C BRANCH 30 31 ATOM 31 C LIG 1 -0.091 5.014 0.746 0.00 0.00 -0.047 A ATOM 32 C LIG 1 0.079 5.894 -0.332 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -0.623 7.099 -0.377 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -1.501 7.434 0.652 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -1.680 6.564 1.726 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -0.980 5.358 1.773 0.00 0.00 +0.003 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 6 29 TORSDOF 6