REMARK Name = BDB034518 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.481 0.098 -0.292 0.00 0.00 -0.279 N ATOM 2 C LIG 1 -4.875 -0.730 0.755 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -5.946 -1.282 0.907 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.733 -0.837 1.668 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.666 -0.140 1.108 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -1.442 -0.080 1.760 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -1.313 -0.736 2.989 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -2.408 -1.439 3.535 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -3.637 -1.498 2.874 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -3.073 0.441 -0.204 0.00 0.00 +0.145 C ENDROOT BRANCH 1 15 ATOM 11 O LIG 1 -7.181 0.343 -5.029 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -6.607 0.214 -3.950 0.00 0.00 +0.223 C ATOM 13 C LIG 1 -6.592 1.253 -2.759 0.00 0.00 +0.080 C ATOM 14 C LIG 1 -6.760 0.590 -1.353 0.00 0.00 +0.048 C ATOM 15 C LIG 1 -5.243 0.210 -1.547 0.00 0.00 +0.116 C ATOM 16 C LIG 1 -5.012 -1.000 -2.588 0.00 0.00 +0.243 C ATOM 17 O LIG 1 -4.164 -1.889 -2.529 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -5.155 1.615 -2.249 0.00 0.00 +0.048 C ATOM 19 N LIG 1 -5.849 -0.907 -3.684 0.00 0.00 -0.254 N ATOM 20 H LIG 1 -5.743 -1.595 -4.421 0.00 0.00 +0.158 HD ENDBRANCH 1 15 BRANCH 7 21 ATOM 21 O LIG 1 -0.185 -0.785 3.761 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 0.992 -0.091 3.324 0.00 0.00 +0.190 C ATOM 23 C LIG 1 1.840 -0.974 2.375 0.00 0.00 +0.097 C ATOM 24 C LIG 1 2.433 -1.982 3.374 0.00 0.00 +0.023 C ATOM 25 C LIG 1 2.759 -1.172 4.626 0.00 0.00 +0.005 C ATOM 26 C LIG 1 1.894 0.088 4.553 0.00 0.00 +0.046 C BRANCH 23 27 ATOM 27 N LIG 1 2.902 -0.179 1.729 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 3.692 -0.998 0.767 0.00 0.00 +0.090 C ATOM 29 C LIG 1 3.696 0.245 -0.168 0.00 0.00 +0.020 C ATOM 30 C LIG 1 2.368 0.579 0.564 0.00 0.00 +0.090 C BRANCH 29 31 ATOM 31 C LIG 1 3.632 -0.025 -1.675 0.00 0.00 -0.005 C ATOM 32 C LIG 1 4.970 -0.595 -2.181 0.00 0.00 +0.009 C ATOM 33 C LIG 1 6.088 0.448 -2.241 0.00 0.00 +0.076 C ATOM 34 C LIG 1 5.660 1.682 -3.014 0.00 0.00 +0.249 C ATOM 35 F LIG 1 5.503 1.354 -4.324 0.00 0.00 -0.206 F ATOM 36 F LIG 1 6.645 2.613 -2.965 0.00 0.00 -0.206 F ATOM 37 C LIG 1 4.366 2.287 -2.496 0.00 0.00 +0.076 C ATOM 38 C LIG 1 3.244 1.250 -2.442 0.00 0.00 +0.009 C ENDBRANCH 29 31 ENDBRANCH 23 27 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 5