REMARK Name = BDB008358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.156 1.247 -0.559 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.018 2.515 -1.101 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.013 2.768 -1.963 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.819 3.558 -0.720 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.847 3.326 0.198 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.057 2.043 0.731 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.191 1.004 0.353 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 -3.744 -1.142 -0.812 0.00 0.00 +0.108 C ATOM 9 N LIG 1 -4.170 -0.107 0.138 0.00 0.00 -0.302 N ATOM 10 C LIG 1 -3.352 0.440 1.103 0.00 0.00 +0.154 A ATOM 11 N LIG 1 -4.034 1.322 1.797 0.00 0.00 -0.132 NA ATOM 12 N LIG 1 -5.273 1.436 1.226 0.00 0.00 -0.125 NA ATOM 13 C LIG 1 -1.901 0.099 1.252 0.00 0.00 +0.141 C ATOM 14 C LIG 1 -1.657 -0.787 2.470 0.00 0.00 +0.036 C ATOM 15 N LIG 1 -1.461 -0.537 -0.003 0.00 0.00 -0.286 N ATOM 16 C LIG 1 -0.732 0.151 -0.979 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.760 -0.150 -2.169 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -5.332 0.630 0.178 0.00 0.00 +0.238 A ATOM 19 C LIG 1 -2.313 -1.628 -0.472 0.00 0.00 +0.134 C BRANCH 18 20 ATOM 20 C LIG 1 -6.448 0.536 -0.797 0.00 0.00 +0.452 C ATOM 21 F LIG 1 -6.012 0.216 -2.045 0.00 0.00 -0.163 F ATOM 22 F LIG 1 -7.141 1.697 -0.922 0.00 0.00 -0.163 F ATOM 23 F LIG 1 -7.346 -0.421 -0.446 0.00 0.00 -0.163 F ENDBRANCH 18 20 BRANCH 8 25 ATOM 24 C LIG 1 -4.336 -3.396 -1.880 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -4.708 -2.346 -0.841 0.00 0.00 +0.023 C ENDBRANCH 8 25 ENDBRANCH 1 16 BRANCH 6 26 ATOM 26 C LIG 1 3.161 1.815 1.740 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 3.936 0.522 1.522 0.00 0.00 +0.074 A ATOM 28 C LIG 1 4.958 0.439 0.447 0.00 0.00 +0.011 A ATOM 29 C LIG 1 5.624 -0.776 0.297 0.00 0.00 +0.050 A ATOM 30 C LIG 1 6.600 -0.939 -0.694 0.00 0.00 +0.014 A ATOM 31 C LIG 1 6.908 0.123 -1.542 0.00 0.00 +0.001 A ATOM 32 C LIG 1 6.245 1.341 -1.399 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.290 -1.895 1.193 0.00 0.00 +0.272 A ATOM 34 O LIG 1 5.853 -2.979 1.103 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 4.315 -1.648 2.129 0.00 0.00 -0.242 N ATOM 36 H LIG 1 4.078 -2.408 2.760 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 5.271 1.502 -0.408 0.00 0.00 +0.010 A ATOM 38 N LIG 1 3.646 -0.478 2.303 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5