REMARK Name = BDB040032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.170 -1.308 -0.466 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.010 -0.256 0.469 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.760 0.044 1.050 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.676 -0.741 0.672 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.752 -0.688 1.116 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.374 -1.792 0.395 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.454 -2.435 -0.440 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.582 -3.371 -1.208 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.838 -1.770 -0.247 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.055 -2.074 -0.830 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.746 -2.131 0.559 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.561 -1.409 1.450 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.936 -1.691 1.653 0.00 0.00 -0.032 A ATOM 14 C LIG 1 5.474 -2.755 0.905 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.690 -3.492 0.021 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.339 -3.181 -0.148 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.840 -0.818 2.655 0.00 0.00 +0.080 C ATOM 18 C LIG 1 5.234 -0.376 4.016 0.00 0.00 +0.177 C ATOM 19 O LIG 1 6.444 -0.788 4.713 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 6.828 -1.593 3.569 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 6.556 0.329 1.930 0.00 0.00 +0.248 C ATOM 22 F LIG 1 7.463 -0.233 1.077 0.00 0.00 -0.236 F BRANCH 21 23 ATOM 23 C LIG 1 5.607 1.228 1.205 0.00 0.00 +0.168 A ATOM 24 N LIG 1 5.626 1.496 -0.141 0.00 0.00 -0.318 N ATOM 25 C LIG 1 6.535 1.001 -1.138 0.00 0.00 +0.151 C ATOM 26 C LIG 1 4.569 2.319 -0.377 0.00 0.00 +0.224 A ATOM 27 N LIG 1 3.929 2.547 0.745 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 4.580 1.863 1.742 0.00 0.00 -0.132 NA ENDBRANCH 21 23 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 -1.597 1.178 2.024 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.905 0.809 3.137 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.910 2.220 1.487 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.777 1.687 2.468 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 -4.530 -1.625 -1.061 0.00 0.00 +0.119 C BRANCH 33 35 ATOM 34 C LIG 1 -4.056 -0.883 -3.335 0.00 0.00 +0.105 C ATOM 35 N LIG 1 -4.970 -0.802 -2.200 0.00 0.00 -0.301 NA BRANCH 35 36 ATOM 36 C LIG 1 -5.295 0.583 -1.821 0.00 0.00 +0.087 C BRANCH 36 37 ATOM 37 C LIG 1 -6.271 1.242 -2.812 0.00 0.00 +0.049 C BRANCH 37 38 ATOM 38 C LIG 1 -6.730 2.655 -2.391 0.00 0.00 +0.062 C ATOM 39 C LIG 1 -7.465 2.653 -1.050 0.00 0.00 +0.041 C ATOM 40 C LIG 1 -7.638 3.253 -3.469 0.00 0.00 +0.041 C BRANCH 38 41 ATOM 41 O LIG 1 -5.587 3.503 -2.249 0.00 0.00 -0.389 OA ATOM 42 H LIG 1 -5.186 3.623 -3.128 0.00 0.00 +0.210 HD ENDBRANCH 38 41 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 1 33 TORSDOF 11