REMARK Name = BDB025310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.613 2.149 -1.110 0.00 0.00 -0.045 A ATOM 2 C LIG 1 -2.649 1.915 -2.029 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -3.825 1.249 -1.621 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -5.018 0.862 -2.301 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -5.828 0.217 -1.374 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -5.176 0.223 -0.164 0.00 0.00 -0.313 N ATOM 7 N LIG 1 -7.042 -0.329 -1.597 0.00 0.00 -0.237 NA ATOM 8 C LIG 1 -7.465 -0.183 -2.873 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -6.761 0.441 -3.893 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -5.505 0.979 -3.615 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -3.939 0.830 -0.290 0.00 0.00 +0.052 A ATOM 12 C LIG 1 -2.911 1.050 0.640 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.754 1.709 0.208 0.00 0.00 +0.006 A ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -5.724 -0.369 1.053 0.00 0.00 +0.176 C ATOM 15 C LIG 1 -7.097 0.207 1.387 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -7.343 1.414 1.382 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -8.052 -0.684 1.818 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -8.955 -0.281 2.029 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -7.833 -1.937 2.330 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -8.710 -2.535 2.947 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -6.430 -2.479 2.195 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -5.738 -1.899 0.974 0.00 0.00 +0.044 C ENDBRANCH 6 14 BRANCH 1 23 ATOM 23 C LIG 1 -0.348 2.846 -1.555 0.00 0.00 +0.050 C BRANCH 23 24 ATOM 24 C LIG 1 0.696 1.884 -2.156 0.00 0.00 +0.089 C BRANCH 24 28 ATOM 25 C LIG 1 3.523 -0.351 0.246 0.00 0.00 +0.079 C ATOM 26 C LIG 1 3.627 1.146 -0.055 0.00 0.00 +0.038 C ATOM 27 C LIG 1 2.250 1.775 -0.260 0.00 0.00 +0.086 C ATOM 28 N LIG 1 1.363 1.025 -1.161 0.00 0.00 -0.302 NA ATOM 29 C LIG 1 2.000 -0.133 -1.789 0.00 0.00 +0.086 C ATOM 30 C LIG 1 2.570 -1.068 -0.722 0.00 0.00 +0.038 C BRANCH 25 32 ATOM 31 C LIG 1 5.737 -0.836 1.243 0.00 0.00 +0.401 C ATOM 32 N LIG 1 4.843 -0.966 0.224 0.00 0.00 -0.278 N ATOM 33 H LIG 1 5.247 -1.268 -0.652 0.00 0.00 +0.152 HD ATOM 34 O LIG 1 5.500 -0.332 2.329 0.00 0.00 -0.226 OA BRANCH 31 35 ATOM 35 O LIG 1 6.925 -1.336 0.833 0.00 0.00 -0.445 OA BRANCH 35 37 ATOM 36 C LIG 1 7.862 -2.123 2.974 0.00 0.00 +0.055 C ATOM 37 C LIG 1 8.085 -1.297 1.703 0.00 0.00 +0.107 C ATOM 38 C LIG 1 9.209 -1.952 0.884 0.00 0.00 +0.055 C ATOM 39 C LIG 1 8.488 0.147 2.021 0.00 0.00 +0.055 C ENDBRANCH 35 37 ENDBRANCH 31 35 ENDBRANCH 25 32 ENDBRANCH 24 28 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 7