REMARK Name = BDB041086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.487 -2.759 -1.641 0.00 0.00 +0.178 A ATOM 2 C LIG 1 -1.350 -1.615 -0.851 0.00 0.00 +0.165 A ATOM 3 N LIG 1 -2.378 -1.103 -0.149 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 -3.570 -1.716 -0.259 0.00 0.00 +0.169 A ATOM 5 N LIG 1 -3.806 -2.820 -0.990 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 -2.751 -3.312 -1.670 0.00 0.00 +0.162 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.675 -1.173 0.509 0.00 0.00 +0.102 A ATOM 8 C LIG 1 -5.240 -1.855 1.587 0.00 0.00 +0.062 A ATOM 9 N LIG 1 -6.283 -1.334 2.287 0.00 0.00 -0.239 NA ATOM 10 C LIG 1 -6.738 -0.133 1.916 0.00 0.00 +0.225 A ATOM 11 N LIG 1 -6.266 0.606 0.911 0.00 0.00 -0.201 NA ATOM 12 C LIG 1 -5.239 0.063 0.225 0.00 0.00 +0.229 A BRANCH 8 13 ATOM 13 C LIG 1 -4.728 -3.213 2.037 0.00 0.00 +0.039 C ATOM 14 C LIG 1 -3.374 -3.327 2.703 0.00 0.00 +0.010 C ATOM 15 C LIG 1 -4.618 -3.534 3.512 0.00 0.00 +0.010 C ENDBRANCH 8 13 BRANCH 12 16 ATOM 16 O LIG 1 -4.730 0.767 -0.854 0.00 0.00 -0.479 OA ATOM 17 C LIG 1 -5.351 2.030 -1.063 0.00 0.00 +0.279 C ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 1 19 ATOM 18 C LIG 1 -0.522 -4.425 -3.034 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -0.387 -3.200 -2.323 0.00 0.00 -0.490 OA ENDBRANCH 1 19 BRANCH 2 20 ATOM 20 N LIG 1 -0.071 -1.035 -0.718 0.00 0.00 -0.322 N ATOM 21 H LIG 1 0.394 -1.059 -1.623 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -0.066 0.293 -0.123 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 C LIG 1 1.341 0.850 -0.167 0.00 0.00 -0.030 A ATOM 24 C LIG 1 1.635 1.996 -0.916 0.00 0.00 +0.006 A ATOM 25 C LIG 1 2.938 2.501 -0.954 0.00 0.00 +0.012 A ATOM 26 C LIG 1 3.969 1.880 -0.237 0.00 0.00 +0.017 A ATOM 27 C LIG 1 3.680 0.722 0.493 0.00 0.00 +0.012 A ATOM 28 C LIG 1 2.377 0.216 0.534 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 5.323 2.437 -0.303 0.00 0.00 +0.141 A ATOM 30 N LIG 1 6.141 2.702 0.776 0.00 0.00 -0.333 N ATOM 31 C LIG 1 5.812 2.556 2.174 0.00 0.00 +0.150 C ATOM 32 C LIG 1 7.322 3.210 0.305 0.00 0.00 +0.119 A ATOM 33 C LIG 1 7.184 3.278 -1.069 0.00 0.00 +0.162 A ATOM 34 N LIG 1 5.926 2.810 -1.419 0.00 0.00 -0.224 NA BRANCH 33 35 ATOM 35 C LIG 1 8.168 3.773 -2.088 0.00 0.00 +0.436 C ATOM 36 F LIG 1 8.467 2.833 -3.023 0.00 0.00 -0.164 F ATOM 37 F LIG 1 7.717 4.870 -2.752 0.00 0.00 -0.164 F ATOM 38 F LIG 1 9.351 4.133 -1.514 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 2 20 TORSDOF 9