REMARK Name = BDB026964 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.796 -1.404 0.821 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.950 -2.578 -0.139 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.215 -2.365 -1.502 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.365 -3.444 -2.374 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.261 -4.748 -1.895 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.015 -4.975 -0.542 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.866 -3.898 0.333 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.715 -0.399 0.311 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.019 0.642 -0.278 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.429 1.172 -0.182 0.00 0.00 -0.013 A ATOM 11 C LIG 1 4.284 -0.082 0.433 0.00 0.00 +0.034 A ATOM 12 C LIG 1 2.989 -0.591 0.615 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.842 0.092 0.211 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.704 -0.720 0.553 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.211 -1.860 1.154 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.005 1.349 -0.406 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.578 -1.772 1.180 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.202 -2.474 1.555 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.292 1.875 -0.593 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 9.290 1.695 -1.064 0.00 0.00 +0.172 C ATOM 21 N LIG 1 7.900 1.957 -0.781 0.00 0.00 -0.274 N ATOM 22 N LIG 1 7.481 3.227 -0.645 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.172 3.099 -0.410 0.00 0.00 +0.142 A ATOM 24 C LIG 1 5.748 1.750 -0.386 0.00 0.00 +0.020 A ATOM 25 C LIG 1 6.903 1.036 -0.633 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.120 -0.763 1.012 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.819 -1.484 1.188 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.128 0.225 2.092 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.537 0.794 2.339 0.00 0.00 +0.053 C BRANCH 29 30 ATOM 30 C LIG 1 -5.140 1.482 1.139 0.00 0.00 -0.011 A ATOM 31 C LIG 1 -6.215 0.901 0.453 0.00 0.00 +0.129 A ATOM 32 F LIG 1 -6.724 -0.267 0.873 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -6.777 1.510 -0.662 0.00 0.00 +0.077 A ATOM 34 C LIG 1 -6.255 2.717 -1.102 0.00 0.00 +0.126 A ATOM 35 F LIG 1 -6.789 3.315 -2.175 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -5.187 3.319 -0.445 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -4.627 2.703 0.676 0.00 0.00 +0.009 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 8