REMARK Name = BDB065064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.059 0.734 0.988 0.00 0.00 +0.017 A ATOM 2 C LIG 1 -0.772 1.190 0.682 0.00 0.00 +0.012 A ATOM 3 C LIG 1 0.353 0.507 1.149 0.00 0.00 +0.006 A ATOM 4 C LIG 1 0.214 -0.639 1.944 0.00 0.00 -0.028 A ATOM 5 C LIG 1 -1.077 -1.085 2.261 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -2.203 -0.400 1.795 0.00 0.00 +0.012 A ENDROOT BRANCH 1 8 ATOM 7 N LIG 1 -4.209 0.949 -0.333 0.00 0.00 -0.327 N ATOM 8 C LIG 1 -3.222 1.464 0.487 0.00 0.00 +0.142 A ATOM 9 N LIG 1 -3.460 2.740 0.732 0.00 0.00 -0.224 NA ATOM 10 C LIG 1 -4.660 3.058 0.115 0.00 0.00 +0.162 A ATOM 11 C LIG 1 -5.136 1.940 -0.543 0.00 0.00 +0.120 A BRANCH 10 12 ATOM 12 C LIG 1 -5.267 4.428 0.197 0.00 0.00 +0.436 C ATOM 13 F LIG 1 -6.420 4.513 -0.526 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -4.441 5.393 -0.288 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -5.588 4.779 1.470 0.00 0.00 -0.164 F ENDBRANCH 10 12 BRANCH 7 17 ATOM 16 C LIG 1 -4.315 -0.327 -2.455 0.00 0.00 +0.030 C ATOM 17 C LIG 1 -4.259 -0.385 -0.927 0.00 0.00 +0.083 C ATOM 18 C LIG 1 -5.421 -1.202 -0.361 0.00 0.00 +0.030 C ENDBRANCH 7 17 ENDBRANCH 1 8 BRANCH 4 19 ATOM 19 C LIG 1 1.431 -1.390 2.443 0.00 0.00 +0.162 C BRANCH 19 20 ATOM 20 N LIG 1 1.826 -2.474 1.551 0.00 0.00 -0.288 N ATOM 21 C LIG 1 2.750 -2.202 0.505 0.00 0.00 +0.148 A ATOM 22 C LIG 1 3.080 -3.227 -0.370 0.00 0.00 +0.036 A ATOM 23 C LIG 1 3.978 -2.902 -1.363 0.00 0.00 +0.124 A ATOM 24 N LIG 1 4.523 -1.681 -1.505 0.00 0.00 -0.234 NA ATOM 25 C LIG 1 4.149 -0.752 -0.605 0.00 0.00 +0.182 A ATOM 26 C LIG 1 2.508 -4.556 -0.230 0.00 0.00 +0.018 A ATOM 27 C LIG 1 1.649 -4.788 0.767 0.00 0.00 +0.071 A ATOM 28 N LIG 1 3.281 -0.967 0.405 0.00 0.00 -0.208 NA ATOM 29 C LIG 1 1.261 -3.725 1.728 0.00 0.00 +0.253 A ATOM 30 O LIG 1 0.467 -4.017 2.620 0.00 0.00 -0.268 OA BRANCH 25 31 ATOM 31 C LIG 1 4.721 0.603 -0.713 0.00 0.00 +0.130 A ATOM 32 N LIG 1 5.535 0.994 -1.715 0.00 0.00 -0.168 NA ATOM 33 N LIG 1 5.821 2.277 -1.445 0.00 0.00 -0.274 N ATOM 34 C LIG 1 6.684 3.011 -2.338 0.00 0.00 +0.172 C ATOM 35 C LIG 1 5.233 2.742 -0.309 0.00 0.00 +0.108 A ATOM 36 C LIG 1 4.513 1.685 0.193 0.00 0.00 +0.052 A ENDBRANCH 25 31 ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 6