REMARK Name = BDB034517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.813 0.430 -0.313 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.965 0.390 0.780 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -5.219 0.629 1.943 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.656 -0.049 0.286 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.777 -0.330 -1.070 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -2.680 -0.772 -1.788 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -1.453 -0.926 -1.123 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -1.354 -0.643 0.251 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -2.468 -0.198 0.973 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -5.181 -0.102 -1.514 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -9.178 1.099 3.408 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -8.593 1.007 2.331 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -8.592 -0.176 1.640 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -9.035 -0.952 2.112 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -7.953 -0.478 0.465 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -7.918 -1.637 0.050 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -7.251 0.669 -0.263 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -7.675 2.051 0.227 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.834 2.164 1.732 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -0.439 -1.361 -1.931 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 0.886 -1.480 -1.391 0.00 0.00 +0.190 C ATOM 22 C LIG 1 1.626 -0.118 -1.426 0.00 0.00 +0.097 C ATOM 23 C LIG 1 1.913 0.014 -2.932 0.00 0.00 +0.023 C ATOM 24 C LIG 1 2.278 -1.392 -3.402 0.00 0.00 +0.005 C ATOM 25 C LIG 1 1.690 -2.353 -2.366 0.00 0.00 +0.046 C BRANCH 22 26 ATOM 26 N LIG 1 2.889 -0.169 -0.664 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 3.542 1.163 -0.607 0.00 0.00 +0.090 C ATOM 28 C LIG 1 3.822 0.909 0.896 0.00 0.00 +0.020 C ATOM 29 C LIG 1 2.643 -0.091 0.796 0.00 0.00 +0.090 C BRANCH 28 30 ATOM 30 C LIG 1 5.190 0.397 1.381 0.00 0.00 -0.005 C ATOM 31 C LIG 1 6.225 1.526 1.306 0.00 0.00 +0.009 C ATOM 32 C LIG 1 7.575 1.132 1.911 0.00 0.00 +0.076 C ATOM 33 C LIG 1 7.791 -0.373 1.978 0.00 0.00 +0.249 C ATOM 34 F LIG 1 7.232 -0.857 3.119 0.00 0.00 -0.206 F ATOM 35 F LIG 1 9.118 -0.634 2.067 0.00 0.00 -0.206 F ATOM 36 C LIG 1 7.199 -1.103 0.790 0.00 0.00 +0.076 C ATOM 37 C LIG 1 5.695 -0.850 0.633 0.00 0.00 +0.009 C ENDBRANCH 28 30 ENDBRANCH 22 26 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5