REMARK Name = BDB019114 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.481 -3.168 0.300 0.00 0.00 +0.166 A ATOM 2 C LIG 1 0.151 -2.124 -0.342 0.00 0.00 +0.096 A ATOM 3 N LIG 1 1.460 -2.541 -0.493 0.00 0.00 -0.269 N ATOM 4 C LIG 1 2.453 -1.746 -1.093 0.00 0.00 +0.202 A ATOM 5 N LIG 1 2.137 -0.581 -1.593 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 0.832 -0.154 -1.450 0.00 0.00 +0.125 A ATOM 7 C LIG 1 1.529 -3.824 -0.014 0.00 0.00 +0.208 A ATOM 8 C LIG 1 -0.168 -0.833 -0.846 0.00 0.00 +0.028 A ATOM 9 N LIG 1 0.383 -4.225 0.494 0.00 0.00 -0.224 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -1.494 -0.201 -0.788 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -1.745 0.898 0.024 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -2.947 1.515 0.129 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -3.985 1.023 -0.583 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -3.806 -0.065 -1.440 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -2.558 -0.681 -1.545 0.00 0.00 +0.013 A BRANCH 13 16 ATOM 16 N LIG 1 -5.254 1.629 -0.486 0.00 0.00 -0.313 N ATOM 17 C LIG 1 -6.284 0.702 0.032 0.00 0.00 +0.121 C ATOM 18 C LIG 1 -7.663 1.400 0.088 0.00 0.00 +0.100 C ATOM 19 N LIG 1 -7.663 2.667 0.850 0.00 0.00 -0.313 NA ATOM 20 H LIG 1 -7.389 2.454 1.810 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -6.628 3.553 0.274 0.00 0.00 +0.100 C ATOM 22 C LIG 1 -5.221 2.913 0.246 0.00 0.00 +0.121 C ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 24 ATOM 23 N LIG 1 -2.962 -3.310 1.044 0.00 0.00 -0.189 NA ATOM 24 C LIG 1 -1.848 -3.254 0.720 0.00 0.00 +0.121 C ENDBRANCH 1 24 BRANCH 4 25 ATOM 25 N LIG 1 3.760 -2.176 -1.190 0.00 0.00 -0.310 N ATOM 26 H LIG 1 4.236 -1.523 -1.811 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 4.576 -2.346 0.012 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 4.848 -1.031 0.682 0.00 0.00 +0.012 A ATOM 29 C LIG 1 5.861 -0.169 0.273 0.00 0.00 +0.005 A ATOM 30 C LIG 1 6.896 -0.330 -0.777 0.00 0.00 +0.080 C ATOM 31 C LIG 1 7.418 1.106 -0.835 0.00 0.00 +0.234 C ATOM 32 O LIG 1 7.125 1.762 0.419 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 6.076 1.039 0.925 0.00 0.00 +0.124 A ATOM 34 C LIG 1 5.307 1.450 1.995 0.00 0.00 +0.049 A ATOM 35 C LIG 1 4.273 0.612 2.410 0.00 0.00 +0.042 A ATOM 36 C LIG 1 4.052 -0.607 1.755 0.00 0.00 +0.129 A ATOM 37 F LIG 1 3.047 -1.387 2.179 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 6