REMARK Name = BDB039107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.092 -1.548 0.405 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -4.814 -1.602 0.928 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -3.880 -0.558 0.520 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -2.439 -0.837 0.863 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -2.054 -1.979 1.604 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -0.705 -2.220 1.900 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.301 -1.338 1.494 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.091 -0.207 0.768 0.00 0.00 +0.069 A ATOM 9 N LIG 1 0.606 0.838 0.188 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.319 1.735 -0.323 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -1.538 1.240 -0.207 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -3.101 -2.978 2.030 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -1.421 0.055 0.468 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -4.485 -2.344 2.137 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -6.437 -0.777 -0.485 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.071 3.107 -0.904 0.00 0.00 +0.055 C ATOM 17 C LIG 1 0.404 4.116 0.153 0.00 0.00 +0.011 C ATOM 18 C LIG 1 0.581 5.515 -0.438 0.00 0.00 +0.001 C ATOM 19 C LIG 1 1.468 5.500 -1.679 0.00 0.00 +0.000 C ATOM 20 C LIG 1 0.951 4.520 -2.730 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.812 3.110 -2.155 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 -8.261 -2.429 0.457 0.00 0.00 +0.282 C ATOM 23 O LIG 1 -6.935 -2.451 0.984 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 2.060 0.930 0.151 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 2.680 0.206 -1.060 0.00 0.00 +0.147 C BRANCH 25 26 ATOM 26 C LIG 1 2.881 -1.288 -0.849 0.00 0.00 -0.028 A ATOM 27 C LIG 1 3.821 -1.777 0.084 0.00 0.00 +0.053 A ATOM 28 C LIG 1 3.998 -3.151 0.275 0.00 0.00 +0.155 A ATOM 29 C LIG 1 3.219 -4.038 -0.473 0.00 0.00 +0.165 A ATOM 30 F LIG 1 3.368 -5.363 -0.314 0.00 0.00 -0.202 F ATOM 31 C LIG 1 2.283 -3.579 -1.394 0.00 0.00 +0.042 A ATOM 32 C LIG 1 2.113 -2.207 -1.583 0.00 0.00 +0.007 A BRANCH 28 33 ATOM 33 O LIG 1 4.878 -3.727 1.151 0.00 0.00 -0.492 OA ATOM 34 C LIG 1 5.746 -2.861 1.870 0.00 0.00 +0.277 C ENDBRANCH 28 33 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 3.972 0.888 -1.476 0.00 0.00 +0.314 C ATOM 36 O LIG 1 4.345 1.077 -2.627 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 4.756 1.262 -0.442 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 5.564 1.627 -0.873 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 25 35 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8