REMARK Name = BDB031043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.065 1.256 0.480 0.00 0.00 +0.111 A ATOM 2 C LIG 1 -0.830 2.593 0.728 0.00 0.00 +0.167 A ATOM 3 F LIG 1 -1.805 3.478 0.970 0.00 0.00 -0.202 F ATOM 4 C LIG 1 0.482 2.989 0.735 0.00 0.00 +0.155 A ATOM 5 N LIG 1 1.515 2.152 0.517 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 1.223 0.863 0.285 0.00 0.00 +0.221 A ATOM 7 N LIG 1 -0.037 0.392 0.265 0.00 0.00 -0.211 NA ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -7.102 -0.113 -0.196 0.00 0.00 +0.162 A ATOM 9 S LIG 1 -6.309 1.383 -0.568 0.00 0.00 -0.052 S ATOM 10 C LIG 1 -4.800 0.748 -0.057 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -4.988 -0.563 0.362 0.00 0.00 +0.080 A ATOM 12 C LIG 1 -3.875 -1.288 0.822 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -2.612 -0.677 0.849 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -2.416 0.651 0.435 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.536 1.368 -0.032 0.00 0.00 +0.027 A ATOM 16 N LIG 1 -6.285 -1.030 0.280 0.00 0.00 -0.225 NA BRANCH 8 17 ATOM 17 N LIG 1 -8.440 -0.335 -0.375 0.00 0.00 -0.310 N BRANCH 17 19 ATOM 18 C LIG 1 -8.853 -2.623 -1.167 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -8.990 -1.641 -0.014 0.00 0.00 +0.103 C ENDBRANCH 17 19 BRANCH 17 20 ATOM 20 C LIG 1 -9.357 0.659 -0.921 0.00 0.00 +0.103 C ATOM 21 C LIG 1 -9.932 1.533 0.184 0.00 0.00 +0.024 C ENDBRANCH 17 20 ENDBRANCH 8 17 ENDBRANCH 1 14 BRANCH 6 22 ATOM 22 N LIG 1 2.209 -0.076 0.051 0.00 0.00 -0.268 N ATOM 23 H LIG 1 1.834 -0.997 -0.115 0.00 0.00 +0.156 HD BRANCH 22 24 ATOM 24 C LIG 1 3.588 -0.048 -0.019 0.00 0.00 +0.125 A ATOM 25 N LIG 1 4.166 -1.236 -0.287 0.00 0.00 -0.238 NA ATOM 26 C LIG 1 5.522 -1.282 -0.369 0.00 0.00 +0.136 A ATOM 27 C LIG 1 6.396 -0.207 -0.182 0.00 0.00 +0.048 A ATOM 28 C LIG 1 5.760 1.006 0.075 0.00 0.00 +0.028 A ATOM 29 C LIG 1 4.363 1.087 0.162 0.00 0.00 +0.045 A BRANCH 27 30 ATOM 30 N LIG 1 7.785 -0.360 -0.292 0.00 0.00 -0.326 N ATOM 31 C LIG 1 8.619 0.862 -0.325 0.00 0.00 +0.120 C ATOM 32 C LIG 1 10.083 0.515 -0.682 0.00 0.00 +0.100 C ATOM 33 N LIG 1 10.681 -0.484 0.223 0.00 0.00 -0.313 NA ATOM 34 H LIG 1 11.606 -0.734 -0.126 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 9.831 -1.688 0.235 0.00 0.00 +0.100 C ATOM 36 C LIG 1 8.355 -1.403 0.598 0.00 0.00 +0.120 C ENDBRANCH 27 30 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 7