REMARK Name = BDB018961 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.410 -2.562 -0.086 0.00 0.00 -0.300 N ATOM 2 C LIG 1 -0.632 -1.597 -0.036 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -1.747 -1.744 0.806 0.00 0.00 -0.025 A ATOM 4 C LIG 1 -2.742 -0.750 0.846 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.672 0.385 0.028 0.00 0.00 -0.006 A ATOM 6 C LIG 1 -1.605 0.517 -0.873 0.00 0.00 +0.027 A ATOM 7 C LIG 1 -1.887 -2.940 1.709 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.045 -4.097 1.202 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -0.608 -0.480 -0.892 0.00 0.00 +0.033 A ATOM 10 C LIG 1 0.374 -3.609 0.958 0.00 0.00 +0.111 C ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 4.708 0.175 -0.217 0.00 0.00 +0.082 A ATOM 12 C LIG 1 3.747 -0.867 -0.419 0.00 0.00 +0.034 A ATOM 13 C LIG 1 4.385 -1.830 -1.193 0.00 0.00 +0.136 A ATOM 14 C LIG 1 3.787 -3.006 -1.638 0.00 0.00 +0.049 A ATOM 15 C LIG 1 2.455 -3.212 -1.260 0.00 0.00 +0.027 A ATOM 16 C LIG 1 1.760 -2.291 -0.460 0.00 0.00 +0.035 A ATOM 17 O LIG 1 5.670 -1.464 -1.442 0.00 0.00 -0.462 OA ATOM 18 C LIG 1 2.416 -1.120 -0.025 0.00 0.00 +0.035 A ATOM 19 C LIG 1 5.863 -0.267 -0.836 0.00 0.00 +0.209 A BRANCH 11 23 ATOM 20 C LIG 1 3.132 3.296 1.091 0.00 0.00 +0.128 C ATOM 21 N LIG 1 3.346 1.973 0.564 0.00 0.00 -0.314 N ATOM 22 H LIG 1 2.639 1.593 -0.050 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 4.618 1.448 0.475 0.00 0.00 +0.247 C ATOM 24 O LIG 1 5.611 2.029 0.903 0.00 0.00 -0.270 OA ENDBRANCH 11 23 ENDBRANCH 1 16 BRANCH 5 25 ATOM 25 C LIG 1 -3.732 1.367 0.130 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -3.552 2.684 0.492 0.00 0.00 +0.116 A ATOM 27 N LIG 1 -4.795 3.248 0.495 0.00 0.00 -0.274 N ATOM 28 C LIG 1 -5.128 4.617 0.809 0.00 0.00 +0.172 C ATOM 29 N LIG 1 -5.775 2.386 0.168 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 -5.127 1.236 -0.038 0.00 0.00 +0.142 A ENDBRANCH 5 25 BRANCH 6 31 ATOM 31 C LIG 1 -1.476 1.694 -1.805 0.00 0.00 +0.372 C ATOM 32 F LIG 1 -0.621 1.461 -2.845 0.00 0.00 -0.204 F ATOM 33 F LIG 1 -0.976 2.797 -1.177 0.00 0.00 -0.204 F ENDBRANCH 6 31 TORSDOF 4