REMARK Name = BDB015071 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.129 -1.645 1.806 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.263 -1.502 1.763 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -1.960 -0.744 2.719 0.00 0.00 -0.014 A ATOM 4 C LIG 1 -1.214 -0.126 3.734 0.00 0.00 +0.009 A ATOM 5 C LIG 1 0.174 -0.262 3.787 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.845 -1.019 2.824 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.425 -0.599 2.655 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.044 -0.150 1.470 0.00 0.00 +0.036 A ATOM 9 C LIG 1 -5.441 -0.024 1.452 0.00 0.00 +0.069 A ATOM 10 C LIG 1 -6.230 -0.330 2.558 0.00 0.00 +0.089 A ATOM 11 N LIG 1 -7.560 -0.132 2.288 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 -7.598 0.284 1.044 0.00 0.00 +0.200 A ATOM 13 C LIG 1 -5.620 -0.777 3.737 0.00 0.00 +0.030 A ATOM 14 N LIG 1 -6.346 0.377 0.496 0.00 0.00 -0.327 N ATOM 15 C LIG 1 -4.224 -0.906 3.770 0.00 0.00 +0.011 A BRANCH 14 16 ATOM 16 C LIG 1 -6.043 0.810 -0.861 0.00 0.00 +0.093 C ATOM 17 C LIG 1 -6.639 2.180 -1.194 0.00 0.00 +0.053 C ATOM 18 C LIG 1 -6.210 2.619 -2.592 0.00 0.00 +0.162 C ATOM 19 O LIG 1 -5.884 1.523 -3.448 0.00 0.00 -0.380 OA ATOM 20 C LIG 1 -6.737 0.401 -3.260 0.00 0.00 +0.162 C ATOM 21 C LIG 1 -6.460 -0.238 -1.904 0.00 0.00 +0.053 C ENDBRANCH 14 16 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 O LIG 1 0.646 -2.411 0.799 0.00 0.00 -0.489 OA BRANCH 22 23 ATOM 23 C LIG 1 2.059 -2.637 0.753 0.00 0.00 +0.261 C BRANCH 23 24 ATOM 24 C LIG 1 2.793 -1.492 0.040 0.00 0.00 +0.166 C BRANCH 24 25 ATOM 25 O LIG 1 2.543 -1.558 -1.373 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 3.270 -1.044 -1.780 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 4.317 -1.595 0.265 0.00 0.00 +0.119 C BRANCH 27 28 ATOM 28 N LIG 1 5.059 -0.612 -0.557 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 6.487 -0.997 -0.624 0.00 0.00 +0.120 C ATOM 30 C LIG 1 7.365 0.024 -1.315 0.00 0.00 -0.030 A ATOM 31 C LIG 1 6.953 1.361 -1.444 0.00 0.00 -0.042 A ATOM 32 C LIG 1 7.797 2.294 -2.061 0.00 0.00 +0.004 A ATOM 33 C LIG 1 9.055 1.908 -2.523 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.475 0.588 -2.378 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.580 1.771 -0.980 0.00 0.00 +0.051 C ATOM 36 C LIG 1 8.636 -0.349 -1.775 0.00 0.00 +0.005 A ATOM 37 C LIG 1 4.955 0.755 -0.014 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 8