REMARK Name = BDB048191 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.202 0.257 -1.239 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.487 0.676 -1.593 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -1.886 2.027 -1.509 0.00 0.00 -0.024 A ATOM 4 C LIG 1 -0.934 2.982 -1.096 0.00 0.00 -0.042 A ATOM 5 C LIG 1 0.357 2.550 -0.739 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.720 1.202 -0.810 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 0.014 -1.087 -1.375 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 1.243 -1.629 -0.885 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 2.313 -1.611 -1.973 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 3.796 -4.564 -2.629 0.00 0.00 +0.088 C ATOM 11 C LIG 1 4.169 -3.411 -1.793 0.00 0.00 +0.126 A ATOM 12 C LIG 1 3.594 -2.193 -1.502 0.00 0.00 +0.086 A ATOM 13 N LIG 1 4.407 -1.495 -0.639 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 5.439 -2.296 -0.441 0.00 0.00 +0.228 A ATOM 15 O LIG 1 5.355 -3.485 -1.119 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 6.625 -2.087 0.385 0.00 0.00 +0.037 A ATOM 17 C LIG 1 6.765 -0.893 1.109 0.00 0.00 +0.013 A ATOM 18 C LIG 1 7.889 -0.666 1.907 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.889 -1.631 1.992 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.768 -2.822 1.280 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.643 -3.049 0.481 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -3.292 2.407 -1.933 0.00 0.00 +0.141 C BRANCH 22 23 ATOM 23 N LIG 1 -4.290 1.440 -1.522 0.00 0.00 -0.295 N ATOM 24 H LIG 1 -4.909 1.093 -2.237 0.00 0.00 +0.151 HD ATOM 25 C LIG 1 -4.838 1.495 -0.266 0.00 0.00 +0.300 C ATOM 26 N LIG 1 -5.774 0.507 -0.099 0.00 0.00 -0.295 N ATOM 27 H LIG 1 -5.607 -0.321 -0.651 0.00 0.00 +0.151 HD ATOM 28 O LIG 1 -4.535 2.316 0.588 0.00 0.00 -0.253 OA BRANCH 26 29 ATOM 29 C LIG 1 -6.373 0.275 1.198 0.00 0.00 +0.141 C BRANCH 29 30 ATOM 30 C LIG 1 -5.679 -0.853 1.921 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -6.257 -2.128 1.985 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.597 -3.172 2.636 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.353 -2.954 3.225 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.766 -1.692 3.162 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.424 -0.647 2.514 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 3 22 BRANCH 4 36 ATOM 36 C LIG 1 -1.239 4.460 -0.988 0.00 0.00 +0.046 C BRANCH 36 37 ATOM 37 C LIG 1 -1.824 4.825 0.370 0.00 0.00 +0.125 C BRANCH 37 38 ATOM 38 C LIG 1 -2.053 6.302 0.458 0.00 0.00 +0.305 C ATOM 39 O LIG 1 -1.431 7.090 1.151 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 -3.054 6.730 -0.336 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 -3.107 7.691 -0.150 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 4 36 TORSDOF 13