REMARK Name = BDB041834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.028 -0.652 2.434 0.00 0.00 +0.083 C ATOM 2 C LIG 1 -2.792 0.399 1.595 0.00 0.00 +0.172 C ATOM 3 C LIG 1 -4.304 0.257 1.910 0.00 0.00 +0.242 C ATOM 4 O LIG 1 -4.965 1.229 2.290 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -4.865 -1.027 1.706 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -3.954 -2.102 1.742 0.00 0.00 +0.135 A ATOM 7 N LIG 1 -4.151 -3.460 1.488 0.00 0.00 -0.218 N ATOM 8 N LIG 1 -3.146 -4.195 2.044 0.00 0.00 -0.173 NA ATOM 9 C LIG 1 -2.202 -3.302 2.345 0.00 0.00 +0.141 A ATOM 10 C LIG 1 -2.638 -1.982 2.151 0.00 0.00 +0.022 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 1.423 -0.803 0.706 0.00 0.00 -0.030 A ATOM 12 C LIG 1 0.032 -0.729 0.904 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -0.536 -0.781 2.188 0.00 0.00 -0.037 A ATOM 14 C LIG 1 0.325 -0.957 3.285 0.00 0.00 +0.004 A ATOM 15 C LIG 1 1.702 -1.072 3.102 0.00 0.00 +0.001 A ATOM 16 C LIG 1 2.247 -0.999 1.821 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 1.962 -0.720 -0.705 0.00 0.00 +0.139 C BRANCH 17 19 ATOM 18 C LIG 1 3.677 1.016 -1.085 0.00 0.00 +0.241 C ATOM 19 N LIG 1 3.336 -0.276 -0.775 0.00 0.00 -0.307 N ATOM 20 H LIG 1 4.068 -0.963 -0.673 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 2.888 1.917 -1.335 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 5.870 0.993 -0.014 0.00 0.00 +0.019 C ATOM 23 C LIG 1 5.147 1.248 -1.119 0.00 0.00 +0.021 C BRANCH 23 24 ATOM 24 C LIG 1 5.684 1.899 -2.364 0.00 0.00 +0.124 C BRANCH 24 25 ATOM 25 N LIG 1 5.846 0.947 -3.477 0.00 0.00 -0.294 NA ATOM 26 C LIG 1 5.989 1.655 -4.770 0.00 0.00 +0.113 C ATOM 27 C LIG 1 7.361 2.322 -4.966 0.00 0.00 +0.175 C ATOM 28 O LIG 1 8.425 1.372 -4.827 0.00 0.00 -0.377 OA ATOM 29 C LIG 1 8.371 0.730 -3.548 0.00 0.00 +0.175 C ATOM 30 C LIG 1 7.011 0.050 -3.314 0.00 0.00 +0.113 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 7 31 ATOM 31 C LIG 1 -5.115 -4.113 0.673 0.00 0.00 +0.067 A ATOM 32 C LIG 1 -5.770 -3.429 -0.356 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -6.702 -4.093 -1.158 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -6.968 -5.445 -0.948 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.292 -6.141 0.052 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -5.359 -5.482 0.855 0.00 0.00 +0.028 A ENDBRANCH 7 31 BRANCH 2 37 ATOM 37 N LIG 1 -2.366 1.770 1.875 0.00 0.00 -0.298 N ATOM 38 H LIG 1 -2.812 2.249 2.646 0.00 0.00 +0.150 HD ATOM 39 C LIG 1 -1.582 2.477 0.995 0.00 0.00 +0.263 C ATOM 40 O LIG 1 -1.184 1.978 -0.054 0.00 0.00 -0.269 OA BRANCH 39 41 ATOM 41 C LIG 1 -1.266 3.824 1.401 0.00 0.00 +0.123 A ATOM 42 N LIG 1 -0.209 4.551 0.900 0.00 0.00 -0.262 N ATOM 43 C LIG 1 0.799 4.097 -0.035 0.00 0.00 +0.173 C ATOM 44 N LIG 1 -0.112 5.794 1.421 0.00 0.00 -0.179 NA ATOM 45 C LIG 1 -1.134 5.864 2.270 0.00 0.00 +0.135 A ATOM 46 C LIG 1 -1.879 4.674 2.308 0.00 0.00 +0.054 A ENDBRANCH 39 41 ENDBRANCH 2 37 BRANCH 5 47 ATOM 47 C LIG 1 -6.298 -1.179 1.991 0.00 0.00 +0.112 C ATOM 48 C LIG 1 -7.200 -0.457 0.998 0.00 0.00 +0.025 C ENDBRANCH 5 47 TORSDOF 10