REMARK Name = BDB024689 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.762 -1.801 -1.859 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.831 -2.201 -0.885 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.827 -3.636 -0.528 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.075 -4.012 0.288 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.590 -4.106 0.254 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.343 -3.412 -0.252 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.540 -1.938 -0.048 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.507 -1.103 0.426 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.773 -1.435 0.781 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.364 -0.314 1.137 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.481 0.750 1.062 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.725 0.260 0.595 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.960 0.849 0.313 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.979 0.014 -0.167 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.787 -1.359 -0.374 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.643 -2.537 -2.297 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.762 2.135 1.435 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.666 3.111 0.244 0.00 0.00 +0.043 C ATOM 19 C LIG 1 -0.231 4.527 0.659 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -0.836 4.909 2.011 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -0.380 3.975 3.135 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.057 2.592 2.649 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -0.608 5.505 -0.377 0.00 0.00 +0.066 C ATOM 24 N LIG 1 -0.904 6.276 -1.191 0.00 0.00 -0.196 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 5.482 -0.149 -3.369 0.00 0.00 +0.282 C ATOM 26 O LIG 1 4.575 -0.537 -2.338 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.790 -0.236 1.591 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.738 0.327 0.519 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.998 -0.496 -0.737 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.537 0.151 -1.864 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.806 -0.554 -3.039 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.541 -1.918 -3.107 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.010 -2.575 -2.000 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.742 -1.871 -0.823 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.026 0.698 1.223 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.365 1.837 1.510 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.790 -0.351 1.581 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -6.590 0.044 1.987 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8