REMARK Name = BDB032528 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.061 0.432 -3.699 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.337 0.335 -2.256 0.00 0.00 -0.026 A ATOM 3 C LIG 1 0.601 0.224 -1.227 0.00 0.00 +0.061 A ATOM 4 N LIG 1 0.231 0.171 0.084 0.00 0.00 -0.256 NA ATOM 5 C LIG 1 -1.096 0.184 0.364 0.00 0.00 +0.134 A ATOM 6 C LIG 1 -2.126 0.248 -0.575 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -1.699 0.337 -1.907 0.00 0.00 +0.029 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 -3.496 0.264 -0.263 0.00 0.00 -0.320 N ATOM 9 C LIG 1 -4.287 -0.776 -0.982 0.00 0.00 +0.181 C ATOM 10 C LIG 1 -5.710 -0.871 -0.538 0.00 0.00 +0.151 A ATOM 11 N LIG 1 -6.681 -1.625 -1.002 0.00 0.00 -0.132 NA ATOM 12 N LIG 1 -7.810 -1.359 -0.259 0.00 0.00 -0.125 NA ATOM 13 C LIG 1 -7.509 -0.446 0.649 0.00 0.00 +0.238 A ATOM 14 N LIG 1 -6.186 -0.130 0.507 0.00 0.00 -0.305 N ATOM 15 C LIG 1 -5.376 0.811 1.248 0.00 0.00 +0.144 C ATOM 16 C LIG 1 -3.887 0.453 1.149 0.00 0.00 +0.127 C BRANCH 13 17 ATOM 17 C LIG 1 -8.389 0.168 1.669 0.00 0.00 +0.452 C ATOM 18 F LIG 1 -9.694 -0.171 1.543 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -8.006 -0.181 2.927 0.00 0.00 -0.163 F ATOM 20 F LIG 1 -8.325 1.527 1.624 0.00 0.00 -0.163 F ENDBRANCH 13 17 ENDBRANCH 6 8 BRANCH 3 21 ATOM 21 C LIG 1 2.101 0.237 -1.508 0.00 0.00 +0.157 C BRANCH 21 22 ATOM 22 N LIG 1 2.832 -0.348 -0.382 0.00 0.00 -0.338 N ATOM 23 H LIG 1 2.278 -0.200 0.464 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 4.200 -0.087 -0.198 0.00 0.00 +0.035 A ATOM 25 C LIG 1 4.822 -0.352 1.064 0.00 0.00 +0.008 A ATOM 26 C LIG 1 6.211 -0.116 1.236 0.00 0.00 +0.023 A ATOM 27 C LIG 1 6.781 -0.361 2.512 0.00 0.00 +0.124 A ATOM 28 N LIG 1 6.080 -0.821 3.561 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 4.773 -1.064 3.372 0.00 0.00 +0.113 A ATOM 30 C LIG 1 6.963 0.339 0.131 0.00 0.00 +0.012 A ATOM 31 C LIG 1 6.373 0.534 -1.113 0.00 0.00 +0.003 A ATOM 32 C LIG 1 4.115 -0.852 2.175 0.00 0.00 +0.030 A ATOM 33 C LIG 1 5.011 0.306 -1.275 0.00 0.00 +0.023 A BRANCH 27 34 ATOM 34 N LIG 1 8.148 -0.144 2.756 0.00 0.00 -0.343 N ATOM 35 H LIG 1 8.370 0.827 2.564 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 8.692 -0.735 2.137 0.00 0.00 +0.144 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 6