REMARK Name = BDB035694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.767 0.860 -1.035 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.419 1.288 -1.639 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.630 1.809 -2.719 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.508 0.994 -0.700 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.863 1.232 -0.850 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.714 0.861 0.199 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.169 0.255 1.358 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.787 0.016 1.493 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.969 0.403 0.436 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.514 0.287 0.282 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.504 0.562 -1.360 0.00 0.00 -0.016 A ATOM 12 C LIG 1 3.186 0.460 -0.867 0.00 0.00 +0.029 A ATOM 13 C LIG 1 2.079 0.961 -1.576 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.321 1.558 -2.816 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.617 1.661 -3.330 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.701 1.168 -2.609 0.00 0.00 +0.006 A BRANCH 11 17 ATOM 17 C LIG 1 5.701 -0.000 -0.598 0.00 0.00 +0.186 C BRANCH 17 20 ATOM 18 C LIG 1 8.234 -0.284 1.211 0.00 0.00 +0.151 C ATOM 19 N LIG 1 6.968 0.278 1.603 0.00 0.00 -0.319 N ATOM 20 C LIG 1 5.829 0.423 0.843 0.00 0.00 +0.161 A ATOM 21 N LIG 1 4.898 0.963 1.609 0.00 0.00 -0.132 NA ATOM 22 N LIG 1 5.423 1.168 2.859 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 6.665 0.751 2.842 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 N LIG 1 5.741 -1.462 -0.728 0.00 0.00 -0.322 N ATOM 25 C LIG 1 5.111 -2.380 0.068 0.00 0.00 +0.200 A ATOM 26 N LIG 1 5.418 -3.608 -0.281 0.00 0.00 -0.244 NA ATOM 27 C LIG 1 6.248 -3.486 -1.363 0.00 0.00 +0.130 A ATOM 28 C LIG 1 6.470 -2.161 -1.657 0.00 0.00 +0.108 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.213 -0.622 2.729 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.152 -1.058 3.612 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.413 0.234 3.422 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.438 -1.703 2.440 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.207 1.084 0.094 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -5.898 -0.197 -0.046 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -5.578 -0.649 -0.902 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.359 -0.061 0.043 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.775 0.181 1.521 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -8.814 -0.947 1.349 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -7.931 -1.501 0.211 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -7.997 0.771 -1.053 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8