REMARK Name = BDB045190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.686 -0.518 -0.328 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.270 -1.756 0.166 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.895 -1.869 0.928 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.663 -0.735 1.214 0.00 0.00 -0.047 A ATOM 5 C LIG 1 -1.244 0.505 0.717 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.077 0.614 -0.048 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.847 -0.560 -1.047 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.344 0.643 -1.641 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 3.178 1.463 -0.656 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 4.064 -0.967 1.509 0.00 0.00 +0.088 C ATOM 11 C LIG 1 4.818 -0.158 0.536 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.495 0.835 -0.364 0.00 0.00 +0.086 A ATOM 13 N LIG 1 5.629 1.232 -1.037 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 6.588 0.475 -0.535 0.00 0.00 +0.228 A ATOM 15 O LIG 1 6.159 -0.398 0.432 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 8.011 0.446 -0.865 0.00 0.00 +0.037 A ATOM 17 C LIG 1 8.904 -0.432 -0.233 0.00 0.00 +0.013 A ATOM 18 C LIG 1 10.261 -0.437 -0.570 0.00 0.00 +0.001 A ATOM 19 C LIG 1 10.741 0.436 -1.544 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.868 1.314 -2.181 0.00 0.00 +0.001 A ATOM 21 C LIG 1 8.512 1.319 -1.844 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -2.933 -0.852 2.021 0.00 0.00 +0.041 C BRANCH 22 23 ATOM 23 C LIG 1 -4.123 -1.315 1.177 0.00 0.00 +0.026 C ATOM 24 C LIG 1 -5.391 -1.688 1.964 0.00 0.00 +0.120 C ATOM 25 C LIG 1 -6.529 -1.557 0.946 0.00 0.00 +0.123 C ATOM 26 N LIG 1 -5.966 -0.760 -0.136 0.00 0.00 -0.299 N ATOM 27 C LIG 1 -4.630 -0.279 0.166 0.00 0.00 +0.112 C BRANCH 26 28 ATOM 28 C LIG 1 -6.795 -0.002 -0.925 0.00 0.00 +0.218 A ATOM 29 N LIG 1 -8.105 -0.304 -0.959 0.00 0.00 -0.223 NA ATOM 30 C LIG 1 -8.895 0.434 -1.760 0.00 0.00 +0.116 A ATOM 31 C LIG 1 -8.436 1.468 -2.534 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -7.091 1.707 -2.438 0.00 0.00 +0.116 A ATOM 33 N LIG 1 -6.262 0.997 -1.651 0.00 0.00 -0.223 NA ENDBRANCH 26 28 BRANCH 24 34 ATOM 34 C LIG 1 -5.712 -0.857 3.181 0.00 0.00 +0.310 C ATOM 35 O LIG 1 -6.095 -1.303 4.251 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -5.583 0.469 3.015 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -5.878 0.852 3.869 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 10