REMARK Name = BDB053734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.835 0.703 0.202 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -0.944 2.075 -0.036 0.00 0.00 -0.278 N ATOM 3 C LIG 1 0.193 2.705 0.470 0.00 0.00 +0.076 A ATOM 4 C LIG 1 0.945 1.735 1.131 0.00 0.00 +0.105 A ATOM 5 N LIG 1 2.105 2.009 1.781 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 2.520 3.287 1.718 0.00 0.00 +0.111 A ATOM 7 C LIG 1 1.871 4.304 1.043 0.00 0.00 +0.022 A ATOM 8 C LIG 1 0.677 4.022 0.387 0.00 0.00 +0.030 A ATOM 9 C LIG 1 0.300 0.487 0.977 0.00 0.00 +0.125 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 0.690 -0.778 1.573 0.00 0.00 +0.254 C ATOM 11 N LIG 1 1.905 -1.336 1.186 0.00 0.00 -0.295 N ATOM 12 C LIG 1 2.322 -2.588 1.812 0.00 0.00 +0.123 C ATOM 13 C LIG 1 3.835 -2.830 1.688 0.00 0.00 +0.100 C ATOM 14 N LIG 1 4.359 -2.800 0.312 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 4.353 -3.742 -0.078 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 3.564 -1.927 -0.570 0.00 0.00 +0.100 C ATOM 17 C LIG 1 2.799 -0.802 0.152 0.00 0.00 +0.123 C ATOM 18 O LIG 1 -0.055 -1.343 2.374 0.00 0.00 -0.270 OA ENDBRANCH 9 10 BRANCH 2 19 ATOM 19 C LIG 1 -2.031 2.731 -0.699 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -2.463 3.991 -0.261 0.00 0.00 +0.026 A ATOM 21 C LIG 1 -3.526 4.634 -0.900 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.167 4.025 -1.976 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.751 2.769 -2.412 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -2.690 2.120 -1.775 0.00 0.00 +0.026 A ENDBRANCH 2 19 BRANCH 1 25 ATOM 25 O LIG 1 -1.798 -0.136 -0.209 0.00 0.00 -0.438 OA BRANCH 25 28 ATOM 26 C LIG 1 -3.269 -2.241 0.982 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -2.216 -2.484 -0.061 0.00 0.00 -0.008 A ATOM 28 C LIG 1 -1.489 -1.416 -0.611 0.00 0.00 +0.136 A ATOM 29 C LIG 1 -0.520 -1.642 -1.590 0.00 0.00 +0.085 A ATOM 30 C LIG 1 -0.244 -2.944 -1.982 0.00 0.00 +0.127 A ATOM 31 F LIG 1 0.702 -3.166 -2.905 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -0.929 -4.020 -1.432 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -1.917 -3.791 -0.474 0.00 0.00 +0.010 A ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 4