REMARK Name = BDB016712 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.209 -1.407 1.914 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.145 -0.003 1.995 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.967 0.642 1.600 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.160 -0.035 1.155 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.121 0.988 0.868 0.00 0.00 +0.100 A ATOM 6 N LIG 1 0.603 2.209 1.089 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.107 -1.439 1.083 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.637 1.966 1.539 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.220 2.757 1.784 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.070 -2.099 1.469 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.779 0.116 -1.663 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.268 -0.767 -0.702 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.027 -1.075 0.420 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.784 -1.965 1.606 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.463 -2.141 2.329 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.060 -1.871 2.412 0.00 0.00 +0.231 C ATOM 17 N LIG 1 -6.897 -0.985 1.743 0.00 0.00 -0.273 N ATOM 18 C LIG 1 -8.219 -0.630 2.182 0.00 0.00 +0.138 C ATOM 19 O LIG 1 -6.265 -2.478 3.451 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.031 -3.258 1.477 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.304 -0.508 0.557 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -6.834 0.364 -0.376 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.056 0.677 -1.496 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.383 1.256 -3.716 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.937 0.347 -2.718 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 2.493 0.835 0.385 0.00 0.00 +0.003 A ATOM 27 C LIG 1 3.332 -0.161 0.888 0.00 0.00 +0.012 A ATOM 28 C LIG 1 4.642 -0.293 0.409 0.00 0.00 +0.024 A ATOM 29 C LIG 1 5.164 0.566 -0.573 0.00 0.00 +0.030 A ATOM 30 C LIG 1 4.308 1.559 -1.068 0.00 0.00 +0.024 A ATOM 31 C LIG 1 2.997 1.699 -0.592 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 6.481 0.378 -1.023 0.00 0.00 -0.327 N ATOM 33 C LIG 1 7.501 0.560 0.041 0.00 0.00 +0.120 C ATOM 34 C LIG 1 8.889 0.090 -0.455 0.00 0.00 +0.100 C ATOM 35 N LIG 1 9.320 0.728 -1.714 0.00 0.00 -0.313 NA ATOM 36 H LIG 1 10.181 0.284 -2.032 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 8.273 0.531 -2.735 0.00 0.00 +0.100 C ATOM 38 C LIG 1 6.882 1.033 -2.287 0.00 0.00 +0.120 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4