REMARK Name = BDB033545 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.085 0.189 -0.332 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.390 0.010 0.097 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.716 -1.277 -0.314 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.986 -1.808 -0.041 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.918 -1.021 0.648 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.575 0.273 1.054 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.672 -1.857 -0.970 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.309 0.813 0.786 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.313 -0.977 -0.979 0.00 0.00 +0.132 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -1.678 -1.229 -1.613 0.00 0.00 +0.148 C ATOM 11 N LIG 1 -2.572 -1.841 -0.605 0.00 0.00 -0.261 N ATOM 12 C LIG 1 -2.449 -3.211 -0.314 0.00 0.00 +0.224 C ATOM 13 O LIG 1 -3.064 -3.821 0.552 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -1.562 -4.009 -1.210 0.00 0.00 +0.079 C ATOM 15 C LIG 1 -1.169 -3.501 -2.572 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -2.159 -4.628 -2.453 0.00 0.00 +0.017 C ATOM 17 C LIG 1 -1.584 -2.097 -2.886 0.00 0.00 +0.035 C BRANCH 11 18 ATOM 18 C LIG 1 -3.511 -1.022 0.104 0.00 0.00 +0.040 A ATOM 19 C LIG 1 -3.779 -1.238 1.464 0.00 0.00 +0.064 A ATOM 20 C LIG 1 -4.690 -0.433 2.145 0.00 0.00 +0.160 A ATOM 21 F LIG 1 -4.907 -0.645 3.451 0.00 0.00 -0.202 F ATOM 22 C LIG 1 -5.356 0.588 1.487 0.00 0.00 +0.159 A ATOM 23 F LIG 1 -6.230 1.363 2.143 0.00 0.00 -0.202 F ATOM 24 C LIG 1 -5.121 0.816 0.138 0.00 0.00 +0.043 A ATOM 25 C LIG 1 -4.203 0.014 -0.549 0.00 0.00 +0.026 A ENDBRANCH 11 18 ENDBRANCH 9 10 BRANCH 5 26 ATOM 26 C LIG 1 5.234 -1.544 0.946 0.00 0.00 +0.047 A ATOM 27 C LIG 1 6.140 -1.987 0.007 0.00 0.00 +0.142 A ATOM 28 C LIG 1 6.142 -2.102 -1.464 0.00 0.00 +0.090 C ATOM 29 O LIG 1 7.275 -2.392 0.638 0.00 0.00 -0.359 OA ATOM 30 N LIG 1 7.139 -2.215 2.001 0.00 0.00 -0.083 NA ATOM 31 C LIG 1 5.912 -1.711 2.183 0.00 0.00 +0.088 A ATOM 32 C LIG 1 5.430 -1.411 3.551 0.00 0.00 +0.070 C ENDBRANCH 5 26 BRANCH 1 36 ATOM 33 C LIG 1 -1.294 4.175 0.725 0.00 0.00 +0.118 C ATOM 34 C LIG 1 -1.867 2.963 1.468 0.00 0.00 +0.033 C ATOM 35 C LIG 1 -0.979 1.729 1.332 0.00 0.00 +0.027 C ATOM 36 C LIG 1 -0.713 1.399 -0.145 0.00 0.00 +0.089 C ATOM 37 C LIG 1 -0.146 2.606 -0.909 0.00 0.00 +0.027 C ATOM 38 C LIG 1 -1.038 3.835 -0.748 0.00 0.00 +0.033 C BRANCH 33 40 ATOM 39 C LIG 1 -1.715 6.520 0.627 0.00 0.00 +0.194 C ATOM 40 O LIG 1 -2.258 5.223 0.835 0.00 0.00 -0.380 OA ENDBRANCH 33 40 ENDBRANCH 1 36 TORSDOF 5