REMARK Name = BDB007966 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.853 -0.974 0.974 0.00 0.00 -0.290 N ATOM 2 C LIG 1 -0.551 -0.508 0.762 0.00 0.00 +0.230 C ATOM 3 O LIG 1 -0.226 0.608 1.181 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 4 C LIG 1 -2.306 -3.333 1.536 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.376 -2.254 0.454 0.00 0.00 +0.077 C BRANCH 5 6 ATOM 6 C LIG 1 -3.726 -2.053 -0.193 0.00 0.00 +0.009 C ATOM 7 C LIG 1 -4.559 -3.218 -0.677 0.00 0.00 +0.005 C ATOM 8 C LIG 1 -5.041 -2.381 0.475 0.00 0.00 +0.005 C ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 9 ATOM 9 C LIG 1 0.412 -1.411 -0.040 0.00 0.00 +0.180 C BRANCH 9 10 ATOM 10 N LIG 1 1.813 -0.940 0.008 0.00 0.00 -0.294 NA ATOM 11 C LIG 1 2.646 -1.640 -0.967 0.00 0.00 +0.085 C ATOM 12 C LIG 1 3.994 -0.923 -1.099 0.00 0.00 +0.027 C ATOM 13 C LIG 1 4.574 -0.471 0.251 0.00 0.00 +0.063 C ATOM 14 C LIG 1 3.893 -1.222 1.400 0.00 0.00 +0.027 C ATOM 15 C LIG 1 2.374 -1.018 1.369 0.00 0.00 +0.085 C BRANCH 13 16 ATOM 16 C LIG 1 6.083 -0.692 0.279 0.00 0.00 +0.166 C ATOM 17 O LIG 1 6.579 -1.679 0.825 0.00 0.00 -0.292 OA BRANCH 16 18 ATOM 18 C LIG 1 6.995 0.290 -0.393 0.00 0.00 +0.018 A ATOM 19 C LIG 1 6.530 1.439 -1.049 0.00 0.00 +0.014 A ATOM 20 C LIG 1 7.434 2.316 -1.659 0.00 0.00 +0.039 A ATOM 21 C LIG 1 8.796 2.046 -1.613 0.00 0.00 +0.123 A ATOM 22 F LIG 1 9.656 2.889 -2.200 0.00 0.00 -0.205 F ATOM 23 C LIG 1 9.277 0.914 -0.969 0.00 0.00 +0.039 A ATOM 24 C LIG 1 8.377 0.037 -0.359 0.00 0.00 +0.014 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 1 25 ATOM 25 C LIG 1 -2.706 -0.182 1.876 0.00 0.00 +0.182 C BRANCH 25 26 ATOM 26 C LIG 1 -3.369 0.984 1.149 0.00 0.00 +0.127 A ATOM 27 N LIG 1 -2.533 1.981 0.725 0.00 0.00 -0.309 N ATOM 28 H LIG 1 -1.526 1.880 0.853 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 -2.972 3.059 0.017 0.00 0.00 +0.257 A ATOM 30 O LIG 1 -2.222 3.909 -0.447 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 -4.432 3.119 -0.171 0.00 0.00 +0.064 A ATOM 32 C LIG 1 -5.004 4.302 -0.880 0.00 0.00 +0.202 C ATOM 33 O LIG 1 -6.434 4.374 -0.750 0.00 0.00 -0.375 OA ATOM 34 C LIG 1 -7.054 3.109 -0.991 0.00 0.00 +0.166 C ATOM 35 C LIG 1 -6.659 2.115 0.099 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -5.166 2.101 0.305 0.00 0.00 +0.056 A ATOM 37 N LIG 1 -4.652 1.009 0.962 0.00 0.00 -0.237 NA ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 8