REMARK Name = BDB009973 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.922 -0.057 -0.907 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.756 -0.294 -0.190 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.013 -1.182 -0.916 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.700 -1.345 -2.094 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.287 -2.078 -3.140 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -0.922 -2.621 -2.921 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.687 -2.523 -1.816 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.240 -1.823 -0.756 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.878 -0.668 -2.074 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 4.805 1.379 0.991 0.00 0.00 +0.215 A ATOM 11 N LIG 1 5.100 2.503 0.305 0.00 0.00 -0.221 NA ATOM 12 C LIG 1 4.369 2.750 -0.802 0.00 0.00 +0.115 A ATOM 13 C LIG 1 3.334 1.940 -1.234 0.00 0.00 +0.031 A ATOM 14 C LIG 1 3.022 0.806 -0.484 0.00 0.00 +0.024 A ATOM 15 C LIG 1 3.789 0.507 0.640 0.00 0.00 +0.078 A BRANCH 10 17 ATOM 16 C LIG 1 6.593 1.954 2.386 0.00 0.00 +0.279 C ATOM 17 O LIG 1 5.518 1.055 2.128 0.00 0.00 -0.480 OA ENDBRANCH 10 17 ENDBRANCH 1 14 BRANCH 6 18 ATOM 18 C LIG 1 -1.451 -3.447 -4.062 0.00 0.00 +0.375 C ATOM 19 O LIG 1 -2.513 -4.046 -4.079 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 -0.576 -3.454 -5.107 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 0.220 -2.914 -4.886 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 -1.993 -1.745 0.409 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.420 -1.868 1.234 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.232 -2.523 0.489 0.00 0.00 +0.072 C ATOM 25 C LIG 1 -4.203 -1.752 1.387 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 -2.938 -3.875 1.096 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -3.897 -5.023 0.894 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -2.549 -5.049 0.231 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 29 ATOM 29 C LIG 1 0.383 0.381 1.047 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 -0.157 1.768 0.795 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -1.428 1.951 0.233 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -1.922 3.236 -0.009 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -1.153 4.366 0.303 0.00 0.00 +0.055 A ATOM 34 C LIG 1 0.111 4.183 0.880 0.00 0.00 +0.013 A ATOM 35 C LIG 1 0.604 2.899 1.123 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -1.692 5.755 0.063 0.00 0.00 +0.417 C ATOM 37 F LIG 1 -2.324 6.261 1.157 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -0.720 6.654 -0.258 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -2.599 5.811 -0.953 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 10