REMARK Name = BDB011939 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.449 0.891 1.748 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.175 1.659 1.990 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.004 2.131 3.123 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.764 1.830 0.976 0.00 0.00 -0.262 N ATOM 5 C LIG 1 0.711 1.346 -0.403 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.106 0.305 -0.936 0.00 0.00 +0.059 A ATOM 7 C LIG 1 0.056 -0.050 -2.309 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.928 0.603 -3.176 0.00 0.00 +0.054 A ATOM 9 C LIG 1 1.677 1.648 -2.686 0.00 0.00 +0.021 A ATOM 10 N LIG 1 -1.042 -0.525 -0.213 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -2.175 -1.036 -0.873 0.00 0.00 +0.223 C ATOM 12 O LIG 1 -2.676 -0.471 -1.850 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 1.564 2.000 -1.337 0.00 0.00 +0.026 A ATOM 14 C LIG 1 -1.048 -0.481 1.236 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -2.754 -2.358 -0.359 0.00 0.00 +0.080 C ATOM 16 C LIG 1 -4.083 -2.120 0.368 0.00 0.00 +0.041 C ATOM 17 C LIG 1 -4.984 -3.341 0.275 0.00 0.00 +0.160 C ATOM 18 O LIG 1 -5.294 -3.728 -1.062 0.00 0.00 -0.380 OA ATOM 19 C LIG 1 -4.371 -3.288 -2.055 0.00 0.00 +0.160 C ATOM 20 C LIG 1 -2.937 -3.320 -1.548 0.00 0.00 +0.041 C ENDBRANCH 11 15 BRANCH 1 22 ATOM 21 C LIG 1 -3.774 1.493 1.149 0.00 0.00 +0.230 C ATOM 22 N LIG 1 -2.415 1.621 0.932 0.00 0.00 -0.301 N ATOM 23 H LIG 1 -2.105 2.046 0.066 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 -4.224 0.786 2.047 0.00 0.00 -0.274 OA BRANCH 21 25 ATOM 25 C LIG 1 -4.638 2.302 0.153 0.00 0.00 +0.137 C ATOM 26 C LIG 1 -6.029 2.529 0.740 0.00 0.00 +0.034 C BRANCH 25 28 ATOM 27 C LIG 1 -5.053 2.416 -2.247 0.00 0.00 +0.101 C ATOM 28 N LIG 1 -4.730 1.559 -1.117 0.00 0.00 -0.309 NA ATOM 29 H LIG 1 -3.864 1.049 -1.327 0.00 0.00 +0.122 HD ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 22 BRANCH 8 30 ATOM 30 C LIG 1 1.056 0.182 -4.540 0.00 0.00 +0.099 C ATOM 31 N LIG 1 1.168 -0.174 -5.639 0.00 0.00 -0.191 NA ENDBRANCH 8 30 BRANCH 4 32 ATOM 32 C LIG 1 2.006 2.502 1.445 0.00 0.00 +0.171 C BRANCH 32 33 ATOM 33 C LIG 1 3.102 1.492 1.637 0.00 0.00 +0.089 A ATOM 34 C LIG 1 3.490 0.835 2.828 0.00 0.00 +0.025 A ATOM 35 C LIG 1 4.574 0.031 2.464 0.00 0.00 +0.075 A ATOM 36 C LIG 1 5.300 -0.686 3.434 0.00 0.00 +0.028 A ATOM 37 C LIG 1 4.862 -0.641 4.762 0.00 0.00 +0.002 A ATOM 38 C LIG 1 3.750 0.111 5.124 0.00 0.00 +0.001 A ATOM 39 N LIG 1 4.704 0.179 1.082 0.00 0.00 -0.231 N ATOM 40 C LIG 1 3.061 0.862 4.169 0.00 0.00 +0.012 A ATOM 41 N LIG 1 3.876 1.135 0.609 0.00 0.00 -0.169 NA BRANCH 39 42 ATOM 42 C LIG 1 5.503 -0.564 0.158 0.00 0.00 +0.083 A ATOM 43 C LIG 1 5.854 -0.041 -1.106 0.00 0.00 +0.077 A ATOM 44 C LIG 1 6.609 -0.831 -1.993 0.00 0.00 +0.021 A ATOM 45 C LIG 1 7.002 -2.123 -1.649 0.00 0.00 +0.001 A ATOM 46 C LIG 1 6.639 -2.646 -0.414 0.00 0.00 +0.002 A ATOM 47 C LIG 1 5.892 -1.877 0.482 0.00 0.00 +0.029 A BRANCH 43 48 ATOM 48 C LIG 1 5.533 1.289 -1.559 0.00 0.00 +0.101 C ATOM 49 N LIG 1 5.319 2.346 -1.994 0.00 0.00 -0.191 NA ENDBRANCH 43 48 ENDBRANCH 39 42 ENDBRANCH 32 33 ENDBRANCH 4 32 TORSDOF 9