REMARK Name = BDB053540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.163 0.156 -0.600 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -4.586 0.432 -1.862 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -5.178 0.852 -3.163 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -4.248 0.481 -4.345 0.00 0.00 +0.043 C ATOM 5 C LIG 1 -2.775 0.629 -4.049 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -2.262 0.484 -2.767 0.00 0.00 +0.097 A ATOM 7 N LIG 1 -0.958 0.551 -2.453 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -0.111 0.755 -3.476 0.00 0.00 +0.220 A ATOM 9 N LIG 1 -0.509 0.884 -4.756 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 -1.827 0.815 -5.019 0.00 0.00 +0.120 A ATOM 11 C LIG 1 -3.223 0.279 -1.696 0.00 0.00 +0.091 A ATOM 12 N LIG 1 -3.047 -0.105 -0.399 0.00 0.00 -0.264 N ATOM 13 C LIG 1 -1.815 -0.444 0.271 0.00 0.00 +0.173 C ATOM 14 N LIG 1 -4.207 -0.175 0.297 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 17 ATOM 15 N LIG 1 -6.753 -0.012 1.141 0.00 0.00 -0.280 N ATOM 16 H LIG 1 -5.897 -0.377 1.550 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -6.591 0.175 -0.221 0.00 0.00 +0.269 C ATOM 18 O LIG 1 -7.476 0.276 -1.063 0.00 0.00 -0.268 OA BRANCH 15 20 ATOM 19 C LIG 1 -9.111 0.561 1.650 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -7.973 -0.267 1.800 0.00 0.00 +0.040 A ATOM 21 C LIG 1 -8.017 -1.367 2.694 0.00 0.00 -0.026 A ATOM 22 C LIG 1 -9.226 -1.686 3.338 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -10.364 -0.916 3.137 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -10.301 0.203 2.314 0.00 0.00 +0.005 A BRANCH 19 26 ATOM 25 C LIG 1 -8.236 2.938 1.618 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -9.115 1.899 0.934 0.00 0.00 +0.033 C ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 C LIG 1 -6.830 -2.271 2.962 0.00 0.00 +0.033 C ATOM 28 C LIG 1 -6.610 -3.292 1.855 0.00 0.00 +0.009 C ENDBRANCH 21 27 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 8 29 ATOM 29 N LIG 1 1.265 0.816 -3.299 0.00 0.00 -0.281 N ATOM 30 H LIG 1 1.732 0.833 -4.198 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 2.134 0.670 -2.207 0.00 0.00 +0.076 A ATOM 32 C LIG 1 3.513 0.463 -2.467 0.00 0.00 +0.142 A ATOM 33 C LIG 1 4.413 0.288 -1.414 0.00 0.00 +0.060 A ATOM 34 C LIG 1 3.948 0.330 -0.096 0.00 0.00 +0.040 A ATOM 35 C LIG 1 2.595 0.521 0.177 0.00 0.00 +0.015 A ATOM 36 C LIG 1 1.699 0.702 -0.877 0.00 0.00 +0.028 A BRANCH 34 37 ATOM 37 C LIG 1 4.889 0.111 1.022 0.00 0.00 +0.247 C ATOM 38 N LIG 1 5.969 0.974 1.125 0.00 0.00 -0.293 N ATOM 39 C LIG 1 7.026 0.742 2.111 0.00 0.00 +0.090 C ATOM 40 C LIG 1 7.418 2.161 2.538 0.00 0.00 +0.025 C ATOM 41 C LIG 1 7.213 2.982 1.268 0.00 0.00 +0.021 C ATOM 42 C LIG 1 5.985 2.345 0.633 0.00 0.00 +0.108 C ATOM 43 O LIG 1 4.657 -0.810 1.800 0.00 0.00 -0.270 OA BRANCH 39 44 ATOM 44 C LIG 1 8.245 -0.019 1.504 0.00 0.00 +0.106 C BRANCH 44 45 ATOM 45 N LIG 1 7.929 -1.294 0.829 0.00 0.00 -0.301 NA ATOM 46 C LIG 1 7.521 -2.348 1.771 0.00 0.00 +0.084 C ATOM 47 C LIG 1 8.808 -3.002 2.256 0.00 0.00 +0.017 C ATOM 48 C LIG 1 9.854 -2.655 1.207 0.00 0.00 +0.017 C ATOM 49 C LIG 1 9.103 -1.861 0.151 0.00 0.00 +0.084 C ENDBRANCH 44 45 ENDBRANCH 39 44 ENDBRANCH 34 37 BRANCH 32 50 ATOM 50 O LIG 1 3.858 0.453 -3.801 0.00 0.00 -0.493 OA ATOM 51 C LIG 1 5.205 0.121 -4.117 0.00 0.00 +0.277 C ENDBRANCH 32 50 ENDBRANCH 29 31 ENDBRANCH 8 29 TORSDOF 10