REMARK Name = BDB034301 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.116 0.661 0.463 0.00 0.00 -0.294 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.540 2.075 0.438 0.00 0.00 +0.120 C BRANCH 2 5 ATOM 3 C LIG 1 -4.893 3.441 1.789 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -4.976 2.917 0.381 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -3.884 2.275 -0.244 0.00 0.00 -0.028 A ATOM 6 C LIG 1 -4.032 1.816 -1.567 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -5.234 1.980 -2.243 0.00 0.00 +0.124 A ATOM 8 F LIG 1 -5.354 1.532 -3.499 0.00 0.00 -0.205 F ATOM 9 C LIG 1 -6.311 2.605 -1.634 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -6.183 3.073 -0.327 0.00 0.00 +0.006 A ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 -2.917 -0.094 1.451 0.00 0.00 +0.120 C BRANCH 11 12 ATOM 12 C LIG 1 -2.811 -1.597 1.275 0.00 0.00 -0.033 A ATOM 13 C LIG 1 -2.406 -2.416 2.338 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -2.325 -3.800 2.173 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -2.652 -4.379 0.948 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -3.063 -3.576 -0.114 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -3.145 -2.192 0.049 0.00 0.00 +0.005 A ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 18 ATOM 18 C LIG 1 -0.676 0.543 0.752 0.00 0.00 +0.085 C BRANCH 18 19 ATOM 19 C LIG 1 0.166 0.798 -0.506 0.00 0.00 +0.017 C BRANCH 19 20 ATOM 20 C LIG 1 1.655 0.585 -0.223 0.00 0.00 +0.020 C BRANCH 20 21 ATOM 21 C LIG 1 2.491 0.788 -1.487 0.00 0.00 +0.101 C BRANCH 21 22 ATOM 22 N LIG 1 3.917 0.638 -1.210 0.00 0.00 -0.343 N ATOM 23 H LIG 1 4.250 1.335 -0.549 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 4.526 -0.612 -1.009 0.00 0.00 +0.038 A ATOM 25 C LIG 1 5.884 -0.688 -0.574 0.00 0.00 +0.021 A ATOM 26 C LIG 1 6.458 -1.974 -0.407 0.00 0.00 +0.074 A ATOM 27 C LIG 1 7.766 -2.087 0.038 0.00 0.00 +0.048 A ATOM 28 C LIG 1 8.538 -0.963 0.313 0.00 0.00 +0.043 A ATOM 29 C LIG 1 8.011 0.307 0.138 0.00 0.00 +0.021 A ATOM 30 CL LIG 1 10.159 -1.147 0.861 0.00 0.00 -0.083 Cl ATOM 31 N LIG 1 5.798 -3.108 -0.671 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 4.542 -3.007 -1.142 0.00 0.00 +0.113 A ATOM 33 C LIG 1 6.695 0.443 -0.304 0.00 0.00 +0.013 A ATOM 34 C LIG 1 3.884 -1.808 -1.337 0.00 0.00 +0.043 A ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 10