REMARK Name = BDB034275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.364 -1.633 1.312 0.00 0.00 +0.034 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.354 -0.551 0.849 0.00 0.00 +0.086 C BRANCH 2 3 ATOM 3 N LIG 1 -1.582 -0.529 -0.606 0.00 0.00 -0.298 NA BRANCH 3 4 ATOM 4 C LIG 1 -2.412 -1.651 -1.066 0.00 0.00 +0.084 C BRANCH 4 6 ATOM 5 C LIG 1 -0.971 -2.136 -3.116 0.00 0.00 +0.005 C ATOM 6 C LIG 1 -2.376 -1.882 -2.585 0.00 0.00 +0.012 C ENDBRANCH 4 6 ENDBRANCH 3 4 BRANCH 3 7 ATOM 7 C LIG 1 -2.042 0.795 -1.073 0.00 0.00 +0.119 C BRANCH 7 8 ATOM 8 C LIG 1 -3.389 1.276 -0.568 0.00 0.00 -0.033 A ATOM 9 C LIG 1 -3.477 2.005 0.634 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -4.729 2.451 1.101 0.00 0.00 -0.000 A ATOM 11 C LIG 1 -5.867 2.163 0.349 0.00 0.00 +0.046 A ATOM 12 N LIG 1 -6.941 2.705 1.018 0.00 0.00 -0.361 N ATOM 13 H LIG 1 -7.899 2.650 0.701 0.00 0.00 +0.165 HD ATOM 14 C LIG 1 -6.522 3.326 2.164 0.00 0.00 +0.083 A ATOM 15 C LIG 1 -5.815 1.451 -0.853 0.00 0.00 +0.026 A ATOM 16 C LIG 1 -5.155 3.186 2.242 0.00 0.00 +0.027 A ATOM 17 C LIG 1 -4.560 1.018 -1.295 0.00 0.00 +0.007 A ENDBRANCH 7 8 ENDBRANCH 3 7 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 1.026 -1.488 0.692 0.00 0.00 +0.103 C BRANCH 18 19 ATOM 19 N LIG 1 1.704 -0.310 1.252 0.00 0.00 -0.343 N ATOM 20 H LIG 1 1.927 -0.446 2.232 0.00 0.00 +0.146 HD BRANCH 19 21 ATOM 21 C LIG 1 2.843 0.077 0.503 0.00 0.00 +0.038 A ATOM 22 C LIG 1 4.173 -0.181 0.927 0.00 0.00 +0.021 A ATOM 23 C LIG 1 5.216 0.235 0.068 0.00 0.00 +0.073 A ATOM 24 C LIG 1 6.533 0.010 0.442 0.00 0.00 +0.040 A ATOM 25 C LIG 1 6.876 -0.631 1.643 0.00 0.00 +0.057 A ATOM 26 C LIG 1 5.851 -1.044 2.494 0.00 0.00 +0.013 A ATOM 27 N LIG 1 5.002 0.839 -1.110 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 3.726 1.051 -1.490 0.00 0.00 +0.113 A ATOM 29 C LIG 1 4.518 -0.828 2.140 0.00 0.00 +0.012 A ATOM 30 C LIG 1 2.632 0.688 -0.734 0.00 0.00 +0.043 A BRANCH 25 31 ATOM 31 C LIG 1 8.323 -0.831 2.011 0.00 0.00 +0.417 C ATOM 32 F LIG 1 9.116 -1.103 0.937 0.00 0.00 -0.166 F ATOM 33 F LIG 1 8.862 0.268 2.608 0.00 0.00 -0.166 F ATOM 34 F LIG 1 8.515 -1.861 2.882 0.00 0.00 -0.166 F ENDBRANCH 25 31 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 10