REMARK Name = BDB034209 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.431 -0.453 1.894 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.221 -0.774 0.783 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -2.457 -0.158 0.657 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -3.498 -0.321 -0.400 0.00 0.00 +0.145 C ATOM 5 N LIG 1 -4.514 0.641 -0.009 0.00 0.00 -0.279 N ATOM 6 C LIG 1 -4.229 1.218 1.224 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -4.929 1.965 1.880 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.898 0.748 1.618 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.150 1.075 2.729 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -0.903 0.461 2.860 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.862 0.649 -0.604 0.00 0.00 +0.116 C ATOM 12 C LIG 1 -6.853 -0.495 -0.046 0.00 0.00 +0.243 C ATOM 13 O LIG 1 -6.561 -1.462 0.657 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -8.140 -0.348 -0.530 0.00 0.00 -0.254 N ATOM 15 H LIG 1 -8.816 -1.059 -0.291 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.443 0.500 -1.579 0.00 0.00 +0.223 C ATOM 17 O LIG 1 -9.526 0.425 -2.153 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.250 1.472 -1.938 0.00 0.00 +0.080 C ATOM 19 C LIG 1 -5.886 0.737 -2.175 0.00 0.00 +0.048 C ATOM 20 C LIG 1 -6.534 2.072 -0.685 0.00 0.00 +0.048 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 O LIG 1 0.805 -0.967 2.174 0.00 0.00 -0.487 OA BRANCH 21 23 ATOM 22 C LIG 1 3.005 -1.732 1.491 0.00 0.00 +0.097 C ATOM 23 C LIG 1 1.477 -1.738 1.170 0.00 0.00 +0.190 C ATOM 24 C LIG 1 1.052 -3.215 1.246 0.00 0.00 +0.046 C ATOM 25 C LIG 1 2.262 -3.979 1.766 0.00 0.00 +0.005 C ATOM 26 C LIG 1 3.443 -3.180 1.244 0.00 0.00 +0.023 C BRANCH 22 29 ATOM 27 C LIG 1 4.001 0.805 -0.531 0.00 0.00 +0.048 C ATOM 28 C LIG 1 3.460 0.612 0.914 0.00 0.00 +0.094 C ATOM 29 N LIG 1 3.928 -0.787 0.849 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 3.860 -0.743 -0.624 0.00 0.00 +0.094 C BRANCH 27 32 ATOM 31 C LIG 1 5.862 1.890 -2.080 0.00 0.00 +0.058 A ATOM 32 C LIG 1 5.464 1.430 -0.796 0.00 0.00 -0.024 A ATOM 33 C LIG 1 6.434 1.532 0.228 0.00 0.00 +0.008 A ATOM 34 C LIG 1 7.702 2.073 0.003 0.00 0.00 +0.039 A ATOM 35 C LIG 1 8.038 2.522 -1.263 0.00 0.00 +0.125 A ATOM 36 F LIG 1 9.253 3.039 -1.482 0.00 0.00 -0.205 F ATOM 37 C LIG 1 7.134 2.434 -2.308 0.00 0.00 +0.057 A BRANCH 31 39 ATOM 38 N LIG 1 4.220 1.703 -4.083 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 4.958 1.793 -3.192 0.00 0.00 +0.100 C ENDBRANCH 31 39 ENDBRANCH 27 32 ENDBRANCH 22 29 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6