REMARK Name = BDB064368 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.050 0.297 0.599 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.035 1.221 0.869 0.00 0.00 +0.255 C ATOM 3 O LIG 1 1.246 2.345 1.329 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.379 0.916 0.492 0.00 0.00 +0.080 A ATOM 5 C LIG 1 -1.093 2.044 0.018 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -2.435 1.975 -0.373 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.073 0.736 -0.308 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.396 -0.398 0.168 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -1.040 -0.317 0.581 0.00 0.00 +0.140 A ATOM 10 O LIG 1 -0.549 -1.503 1.046 0.00 0.00 -0.489 OA ATOM 11 C LIG 1 0.823 -1.649 1.377 0.00 0.00 +0.248 C ATOM 12 C LIG 1 1.741 -1.100 0.297 0.00 0.00 +0.155 C ENDROOT BRANCH 1 21 ATOM 13 C LIG 1 5.429 -0.428 -2.096 0.00 0.00 +0.139 A ATOM 14 C LIG 1 4.334 -0.154 -1.282 0.00 0.00 +0.059 A ATOM 15 C LIG 1 4.493 0.294 0.051 0.00 0.00 +0.025 A ATOM 16 C LIG 1 5.824 0.497 0.479 0.00 0.00 +0.073 A ATOM 17 C LIG 1 6.055 1.011 1.745 0.00 0.00 +0.028 A ATOM 18 C LIG 1 5.011 1.344 2.604 0.00 0.00 +0.004 A ATOM 19 C LIG 1 3.697 1.134 2.204 0.00 0.00 +0.024 A ATOM 20 N LIG 1 6.893 0.228 -0.291 0.00 0.00 -0.251 NA ATOM 21 C LIG 1 3.417 0.590 0.943 0.00 0.00 +0.046 A ATOM 22 C LIG 1 6.681 -0.228 -1.548 0.00 0.00 +0.157 A BRANCH 13 24 ATOM 23 C LIG 1 6.243 -1.127 -4.210 0.00 0.00 +0.277 C ATOM 24 O LIG 1 5.136 -0.865 -3.354 0.00 0.00 -0.494 OA ENDBRANCH 13 24 ENDBRANCH 1 21 BRANCH 8 25 ATOM 25 C LIG 1 -3.128 -1.657 0.209 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -2.866 -2.925 -0.396 0.00 0.00 +0.173 A ATOM 27 N LIG 1 -3.829 -3.815 -0.069 0.00 0.00 -0.167 NA ATOM 28 N LIG 1 -4.668 -3.127 0.722 0.00 0.00 -0.273 N ATOM 29 C LIG 1 -5.827 -3.789 1.272 0.00 0.00 +0.172 C ATOM 30 C LIG 1 -4.302 -1.830 0.911 0.00 0.00 +0.117 A BRANCH 26 31 ATOM 31 C LIG 1 -1.708 -3.286 -1.288 0.00 0.00 +0.437 C ATOM 32 F LIG 1 -1.190 -2.204 -1.938 0.00 0.00 -0.164 F ATOM 33 F LIG 1 -0.673 -3.846 -0.602 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -2.048 -4.174 -2.264 0.00 0.00 -0.164 F ENDBRANCH 26 31 ENDBRANCH 8 25 BRANCH 6 35 ATOM 35 C LIG 1 -3.150 3.205 -0.878 0.00 0.00 +0.157 C BRANCH 35 36 ATOM 36 N LIG 1 -4.369 3.475 -0.133 0.00 0.00 -0.332 N ATOM 37 C LIG 1 -4.438 3.895 1.165 0.00 0.00 +0.199 A ATOM 38 N LIG 1 -5.684 4.066 1.546 0.00 0.00 -0.244 NA ATOM 39 C LIG 1 -6.445 3.757 0.448 0.00 0.00 +0.130 A ATOM 40 C LIG 1 -5.648 3.390 -0.611 0.00 0.00 +0.107 A ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 6