REMARK Name = BDB041124 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.211 1.727 -0.503 0.00 0.00 -0.324 N ATOM 2 H LIG 1 0.306 1.741 -1.378 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -1.740 3.360 -1.436 0.00 0.00 +0.082 A ATOM 4 C LIG 1 -1.524 2.194 -0.704 0.00 0.00 +0.138 A ATOM 5 N LIG 1 -2.546 1.533 -0.123 0.00 0.00 -0.212 NA ATOM 6 C LIG 1 -3.792 2.017 -0.296 0.00 0.00 +0.162 A ATOM 7 N LIG 1 -4.092 3.132 -0.987 0.00 0.00 -0.234 NA ATOM 8 C LIG 1 -3.050 3.777 -1.544 0.00 0.00 +0.133 A BRANCH 6 9 ATOM 9 C LIG 1 -4.903 1.317 0.370 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -5.136 -0.082 0.270 0.00 0.00 -0.034 A ATOM 11 C LIG 1 -6.201 -0.649 1.004 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -7.044 0.134 1.792 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -6.842 1.503 1.867 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -5.786 2.083 1.166 0.00 0.00 +0.012 A BRANCH 10 15 ATOM 15 C LIG 1 -4.279 -0.991 -0.608 0.00 0.00 +0.014 C ATOM 16 C LIG 1 -3.371 -1.876 0.250 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -5.118 -1.847 -1.567 0.00 0.00 +0.012 C ENDBRANCH 10 15 ENDBRANCH 6 9 BRANCH 3 19 ATOM 18 C LIG 1 0.190 4.739 -2.579 0.00 0.00 +0.009 C ATOM 19 C LIG 1 -0.690 4.109 -2.058 0.00 0.00 -0.065 C ENDBRANCH 3 19 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 C LIG 1 -0.107 0.441 0.171 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 C LIG 1 1.348 0.030 0.229 0.00 0.00 -0.030 A ATOM 22 C LIG 1 1.804 -1.103 -0.459 0.00 0.00 +0.006 A ATOM 23 C LIG 1 3.152 -1.472 -0.406 0.00 0.00 +0.012 A ATOM 24 C LIG 1 4.067 -0.720 0.341 0.00 0.00 +0.017 A ATOM 25 C LIG 1 3.617 0.424 1.010 0.00 0.00 +0.012 A ATOM 26 C LIG 1 2.270 0.792 0.961 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 5.484 -1.081 0.409 0.00 0.00 +0.141 A ATOM 28 N LIG 1 5.981 -2.312 0.783 0.00 0.00 -0.333 N ATOM 29 C LIG 1 5.222 -3.452 1.239 0.00 0.00 +0.150 C ATOM 30 C LIG 1 7.347 -2.262 0.716 0.00 0.00 +0.119 A ATOM 31 C LIG 1 7.660 -0.971 0.330 0.00 0.00 +0.162 A ATOM 32 N LIG 1 6.484 -0.254 0.162 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 9.013 -0.358 0.113 0.00 0.00 +0.436 C ATOM 34 F LIG 1 9.230 0.718 0.913 0.00 0.00 -0.164 F ATOM 35 F LIG 1 10.016 -1.242 0.379 0.00 0.00 -0.164 F ATOM 36 F LIG 1 9.196 0.053 -1.170 0.00 0.00 -0.164 F ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8