REMARK Name = BDB016710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.050 1.986 -1.367 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.997 0.751 -2.040 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.842 -0.031 -1.922 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.730 0.358 -1.187 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.799 -0.724 -1.317 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -1.300 -1.693 -2.103 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.758 1.615 -0.555 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.521 -1.254 -2.438 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -3.094 -1.841 -3.033 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.913 2.405 -0.655 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -6.646 -0.964 1.079 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -6.116 0.255 0.643 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.876 1.058 -0.199 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.622 2.383 -0.864 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -5.294 2.844 -1.434 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -7.902 2.667 -1.616 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -8.750 1.597 -1.394 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -9.677 1.545 -1.787 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -8.120 3.661 -2.288 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.860 3.481 -0.179 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -8.165 0.639 -0.563 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -8.727 -0.543 -0.133 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -7.947 -1.349 0.698 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.616 -1.641 2.115 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -6.003 -1.867 1.884 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.534 -0.853 -0.729 0.00 0.00 +0.003 A ATOM 27 C LIG 1 1.577 -1.424 -1.466 0.00 0.00 +0.012 A ATOM 28 C LIG 1 2.861 -1.552 -0.916 0.00 0.00 +0.024 A ATOM 29 C LIG 1 3.146 -1.119 0.385 0.00 0.00 +0.030 A ATOM 30 C LIG 1 2.084 -0.561 1.116 0.00 0.00 +0.024 A ATOM 31 C LIG 1 0.798 -0.431 0.575 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 4.409 -1.222 0.978 0.00 0.00 -0.327 N ATOM 33 C LIG 1 4.968 0.079 1.414 0.00 0.00 +0.120 C ATOM 34 C LIG 1 6.504 0.013 1.601 0.00 0.00 +0.103 C ATOM 35 N LIG 1 7.230 -0.358 0.366 0.00 0.00 -0.297 NA ATOM 36 C LIG 1 6.511 -1.440 -0.360 0.00 0.00 +0.103 C ATOM 37 C LIG 1 5.409 -2.165 0.447 0.00 0.00 +0.120 C BRANCH 35 38 ATOM 38 C LIG 1 8.664 -0.650 0.569 0.00 0.00 +0.051 C ATOM 39 C LIG 1 9.369 0.345 1.506 0.00 0.00 +0.024 C ATOM 40 C LIG 1 9.407 -0.618 -0.778 0.00 0.00 +0.024 C ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 5