REMARK Name = BDB015092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.499 -0.910 -1.265 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -1.240 -0.913 -0.639 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.090 -0.478 -1.307 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -0.193 0.009 -2.608 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -1.433 0.025 -3.248 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -2.574 -0.436 -2.585 0.00 0.00 +0.009 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -5.994 -1.075 0.186 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -4.872 -0.617 -0.513 0.00 0.00 +0.021 A ATOM 9 C LIG 1 -3.699 -1.386 -0.554 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -3.703 -2.630 0.108 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -4.834 -3.092 0.792 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -5.986 -2.312 0.833 0.00 0.00 +0.013 A BRANCH 7 14 ATOM 13 O LIG 1 -7.906 -0.200 -0.799 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -7.210 -0.242 0.215 0.00 0.00 +0.247 C ATOM 15 N LIG 1 -7.501 0.440 1.389 0.00 0.00 -0.293 N ATOM 16 C LIG 1 -6.647 0.474 2.580 0.00 0.00 +0.136 C ATOM 17 C LIG 1 -6.946 1.704 3.444 0.00 0.00 +0.179 C ATOM 18 O LIG 1 -8.314 1.792 3.866 0.00 0.00 -0.377 OA ATOM 19 C LIG 1 -9.251 1.245 2.926 0.00 0.00 +0.179 C ATOM 20 C LIG 1 -8.744 1.205 1.481 0.00 0.00 +0.136 C ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 3 21 ATOM 21 O LIG 1 1.060 -0.515 -0.572 0.00 0.00 -0.489 OA BRANCH 21 22 ATOM 22 C LIG 1 2.279 -0.793 -1.277 0.00 0.00 +0.261 C BRANCH 22 23 ATOM 23 C LIG 1 3.204 0.432 -1.238 0.00 0.00 +0.166 C BRANCH 23 24 ATOM 24 O LIG 1 2.835 1.366 -2.266 0.00 0.00 -0.387 OA ATOM 25 H LIG 1 3.629 1.929 -2.383 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 4.676 0.024 -1.471 0.00 0.00 +0.119 C BRANCH 26 27 ATOM 27 N LIG 1 5.564 1.203 -1.627 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 6.905 0.795 -2.097 0.00 0.00 +0.120 C ATOM 29 C LIG 1 7.795 0.179 -1.034 0.00 0.00 -0.030 A ATOM 30 C LIG 1 7.584 0.451 0.331 0.00 0.00 -0.042 A ATOM 31 C LIG 1 8.448 -0.093 1.293 0.00 0.00 +0.004 A ATOM 32 C LIG 1 9.527 -0.883 0.903 0.00 0.00 +0.000 A ATOM 33 C LIG 1 9.748 -1.141 -0.448 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.395 1.268 0.769 0.00 0.00 +0.051 C ATOM 35 C LIG 1 8.889 -0.611 -1.413 0.00 0.00 +0.005 A ATOM 36 C LIG 1 5.719 2.006 -0.397 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 8