REMARK Name = BDB043574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.238 -0.684 -1.235 0.00 0.00 +0.159 C ATOM 2 C LIG 1 -0.987 -0.255 -0.384 0.00 0.00 +0.234 C ATOM 3 O LIG 1 -0.876 0.142 0.774 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 -2.208 -0.271 -1.041 0.00 0.00 -0.308 N ATOM 5 H LIG 1 -2.265 -0.719 -1.946 0.00 0.00 +0.149 HD ATOM 6 C LIG 1 -3.459 0.071 -0.331 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -4.708 -0.494 -1.053 0.00 0.00 +0.243 C ATOM 8 C LIG 1 -4.639 -2.022 -1.067 0.00 0.00 +0.338 C ATOM 9 O LIG 1 -4.887 -2.737 -0.103 0.00 0.00 -0.248 OA ATOM 10 O LIG 1 -4.196 -2.474 -2.281 0.00 0.00 -0.461 OA ATOM 11 C LIG 1 -4.024 -3.903 -2.369 0.00 0.00 +0.251 C ATOM 12 C LIG 1 -2.587 -4.287 -2.006 0.00 0.00 +0.145 C ATOM 13 N LIG 1 -2.209 -3.810 -0.685 0.00 0.00 -0.312 N ATOM 14 H LIG 1 -2.902 -3.886 0.056 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 -0.985 -3.441 -0.218 0.00 0.00 +0.213 C ATOM 16 O LIG 1 -0.846 -3.176 0.973 0.00 0.00 -0.276 OA ATOM 17 C LIG 1 0.164 -3.294 -1.185 0.00 0.00 +0.098 C ATOM 18 C LIG 1 0.108 -2.006 -2.009 0.00 0.00 +0.041 C ENDROOT BRANCH 1 20 ATOM 19 C LIG 1 2.323 0.380 -0.440 0.00 0.00 +0.234 C ATOM 20 N LIG 1 1.446 -0.685 -0.413 0.00 0.00 -0.302 N ATOM 21 H LIG 1 1.393 -1.215 0.452 0.00 0.00 +0.150 HD ATOM 22 O LIG 1 2.197 1.322 -1.224 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 3.490 0.301 0.571 0.00 0.00 +0.166 C BRANCH 23 25 ATOM 24 C LIG 1 5.494 0.883 -0.722 0.00 0.00 +0.401 C ATOM 25 N LIG 1 4.502 1.261 0.132 0.00 0.00 -0.269 N ATOM 26 H LIG 1 4.193 2.212 -0.029 0.00 0.00 +0.153 HD ATOM 27 O LIG 1 5.812 -0.271 -0.959 0.00 0.00 -0.226 OA BRANCH 24 28 ATOM 28 O LIG 1 6.044 1.992 -1.264 0.00 0.00 -0.445 OA BRANCH 28 30 ATOM 29 C LIG 1 6.635 1.169 -3.510 0.00 0.00 +0.055 C ATOM 30 C LIG 1 7.109 1.891 -2.244 0.00 0.00 +0.107 C ATOM 31 C LIG 1 8.359 1.235 -1.645 0.00 0.00 +0.055 C ATOM 32 C LIG 1 7.443 3.347 -2.610 0.00 0.00 +0.055 C ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 23 25 BRANCH 23 33 ATOM 33 C LIG 1 3.022 0.632 1.997 0.00 0.00 +0.067 C BRANCH 33 34 ATOM 34 C LIG 1 2.663 -0.602 2.792 0.00 0.00 -0.045 A ATOM 35 C LIG 1 3.663 -1.504 3.187 0.00 0.00 +0.004 A ATOM 36 C LIG 1 3.334 -2.667 3.884 0.00 0.00 +0.000 A ATOM 37 C LIG 1 2.004 -2.942 4.192 0.00 0.00 +0.000 A ATOM 38 C LIG 1 1.004 -2.047 3.814 0.00 0.00 +0.000 A ATOM 39 C LIG 1 1.332 -0.879 3.126 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 23 33 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 7 40 ATOM 40 O LIG 1 -4.881 0.097 -2.343 0.00 0.00 -0.379 OA ATOM 41 H LIG 1 -4.114 -0.156 -2.889 0.00 0.00 +0.211 HD ENDBRANCH 7 40 BRANCH 6 42 ATOM 42 C LIG 1 -3.543 1.607 -0.148 0.00 0.00 +0.029 C BRANCH 42 43 ATOM 43 C LIG 1 -4.744 2.119 0.677 0.00 0.00 -0.009 C ATOM 44 C LIG 1 -4.687 3.653 0.775 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -5.839 4.216 1.603 0.00 0.00 +0.000 C ATOM 46 C LIG 1 -5.898 3.585 2.990 0.00 0.00 +0.000 C ATOM 47 C LIG 1 -5.950 2.064 2.910 0.00 0.00 +0.000 C ATOM 48 C LIG 1 -4.803 1.497 2.080 0.00 0.00 +0.003 C ENDBRANCH 42 43 ENDBRANCH 6 42 TORSDOF 10