REMARK Name = BDB011796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.490 1.398 -1.098 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.107 0.982 0.330 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.617 1.542 1.309 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.937 0.059 0.470 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.715 -1.347 0.145 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.391 -1.808 -0.625 0.00 0.00 +0.059 A ATOM 7 C LIG 1 0.603 -3.192 -0.810 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.255 -4.137 -0.252 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -1.348 -3.704 0.485 0.00 0.00 +0.021 A ATOM 10 N LIG 1 1.252 -0.917 -1.329 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.634 -1.066 -1.499 0.00 0.00 +0.251 C ATOM 12 O LIG 1 3.280 -0.491 -2.372 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -1.573 -2.334 0.672 0.00 0.00 +0.026 A ATOM 14 C LIG 1 0.584 0.190 -2.014 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.406 -1.882 -0.525 0.00 0.00 +0.037 A ATOM 16 C LIG 1 4.388 -2.754 -1.010 0.00 0.00 +0.014 A ATOM 17 C LIG 1 5.147 -3.517 -0.118 0.00 0.00 +0.019 A ATOM 18 C LIG 1 4.940 -3.397 1.261 0.00 0.00 +0.052 A ATOM 19 C LIG 1 3.976 -2.503 1.745 0.00 0.00 +0.019 A ATOM 20 C LIG 1 3.216 -1.739 0.855 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 5.720 -4.176 2.178 0.00 0.00 +0.099 C ATOM 22 N LIG 1 6.346 -4.806 2.925 0.00 0.00 -0.191 NA ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 24 ATOM 23 C LIG 1 2.196 2.926 -2.052 0.00 0.00 +0.230 C ATOM 24 N LIG 1 1.751 2.141 -1.015 0.00 0.00 -0.301 N ATOM 25 H LIG 1 2.206 2.173 -0.109 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 1.570 3.009 -3.109 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 C LIG 1 3.564 3.624 -1.823 0.00 0.00 +0.137 C ATOM 28 C LIG 1 3.668 4.328 -0.471 0.00 0.00 +0.034 C BRANCH 27 30 ATOM 29 C LIG 1 3.128 5.767 -2.973 0.00 0.00 +0.101 C ATOM 30 N LIG 1 3.887 4.521 -2.963 0.00 0.00 -0.309 NA ATOM 31 H LIG 1 3.641 4.004 -3.813 0.00 0.00 +0.122 HD ENDBRANCH 27 30 ENDBRANCH 23 27 ENDBRANCH 1 24 BRANCH 8 32 ATOM 32 C LIG 1 -0.023 -5.536 -0.456 0.00 0.00 +0.099 C ATOM 33 N LIG 1 0.167 -6.669 -0.622 0.00 0.00 -0.191 NA ENDBRANCH 8 32 BRANCH 4 34 ATOM 34 C LIG 1 -1.871 0.420 1.553 0.00 0.00 +0.153 C BRANCH 34 35 ATOM 35 C LIG 1 -3.365 0.294 1.252 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -4.269 -0.192 2.261 0.00 0.00 -0.010 A ATOM 37 C LIG 1 -5.649 -0.289 1.951 0.00 0.00 -0.017 A ATOM 38 C LIG 1 -6.566 -0.783 2.895 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -6.150 -1.179 4.162 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -4.811 -1.075 4.502 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -6.117 0.125 0.703 0.00 0.00 +0.012 A ATOM 42 C LIG 1 -5.249 0.645 -0.253 0.00 0.00 +0.047 A ATOM 43 C LIG 1 -3.889 -0.588 3.570 0.00 0.00 +0.009 A ATOM 44 C LIG 1 -3.880 0.726 0.005 0.00 0.00 +0.132 A BRANCH 44 45 ATOM 45 O LIG 1 -2.989 1.264 -0.886 0.00 0.00 -0.434 OA BRANCH 45 46 ATOM 46 C LIG 1 -3.369 1.244 -2.254 0.00 0.00 +0.541 C ATOM 47 F LIG 1 -4.191 2.292 -2.498 0.00 0.00 -0.166 F ATOM 48 F LIG 1 -2.241 1.451 -2.978 0.00 0.00 -0.166 F ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 10