REMARK Name = BDB032533 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.606 -1.560 -0.444 0.00 0.00 -0.009 A ATOM 2 C LIG 1 0.376 -1.571 -1.421 0.00 0.00 +0.118 A ATOM 3 N LIG 1 1.605 -1.008 -1.291 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 1.912 -0.372 -0.143 0.00 0.00 +0.122 A ATOM 5 C LIG 1 0.971 -0.282 0.879 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.282 -0.881 0.732 0.00 0.00 +0.010 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 3.167 0.244 -0.010 0.00 0.00 -0.306 N ATOM 8 C LIG 1 3.960 0.220 -1.266 0.00 0.00 +0.182 C ATOM 9 C LIG 1 5.343 0.765 -1.091 0.00 0.00 +0.151 A ATOM 10 N LIG 1 6.255 1.049 -1.993 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 7.377 1.497 -1.329 0.00 0.00 -0.125 NA ATOM 12 C LIG 1 7.130 1.477 -0.030 0.00 0.00 +0.238 A ATOM 13 N LIG 1 5.860 1.003 0.152 0.00 0.00 -0.305 N ATOM 14 C LIG 1 5.121 0.803 1.380 0.00 0.00 +0.144 C ATOM 15 C LIG 1 3.939 -0.159 1.178 0.00 0.00 +0.128 C BRANCH 12 16 ATOM 16 C LIG 1 8.018 1.875 1.085 0.00 0.00 +0.452 C ATOM 17 F LIG 1 8.354 0.805 1.856 0.00 0.00 -0.163 F ATOM 18 F LIG 1 7.403 2.757 1.920 0.00 0.00 -0.163 F ATOM 19 F LIG 1 9.176 2.454 0.685 0.00 0.00 -0.163 F ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 1 21 ATOM 20 N LIG 1 -2.918 -1.132 -1.083 0.00 0.00 -0.322 N ATOM 21 C LIG 1 -1.979 -2.175 -0.608 0.00 0.00 +0.105 C ATOM 22 C LIG 1 -2.112 -3.309 -1.644 0.00 0.00 +0.029 C ATOM 23 C LIG 1 -2.664 -2.623 -2.885 0.00 0.00 +0.021 C ATOM 24 C LIG 1 -3.615 -1.594 -2.291 0.00 0.00 +0.106 C BRANCH 20 28 ATOM 25 C LIG 1 -4.340 2.769 1.471 0.00 0.00 +0.124 A ATOM 26 C LIG 1 -4.495 1.387 1.194 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -3.657 0.815 0.206 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -3.764 -0.570 -0.105 0.00 0.00 +0.038 A ATOM 29 C LIG 1 -4.708 -1.356 0.575 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -5.537 -0.800 1.543 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -2.730 1.651 -0.435 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -2.660 2.985 -0.086 0.00 0.00 +0.113 A ATOM 33 C LIG 1 -5.432 0.555 1.848 0.00 0.00 +0.012 A ATOM 34 N LIG 1 -3.442 3.554 0.849 0.00 0.00 -0.240 NA BRANCH 25 35 ATOM 35 N LIG 1 -5.136 3.414 2.434 0.00 0.00 -0.343 N ATOM 36 H LIG 1 -5.002 2.964 3.333 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 -6.111 3.332 2.165 0.00 0.00 +0.144 HD ENDBRANCH 25 35 ENDBRANCH 20 28 ENDBRANCH 1 21 TORSDOF 5