REMARK Name = BDB019109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.306 0.671 -0.746 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -1.190 1.136 -1.758 0.00 0.00 +0.096 A ATOM 3 N LIG 1 -2.534 1.177 -1.436 0.00 0.00 -0.269 N ATOM 4 C LIG 1 -3.200 1.617 -2.552 0.00 0.00 +0.208 A ATOM 5 N LIG 1 -2.379 1.886 -3.543 0.00 0.00 -0.224 NA ATOM 6 C LIG 1 -3.043 0.798 -0.176 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.215 0.366 0.737 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 -1.124 1.583 -3.062 0.00 0.00 +0.166 A ATOM 9 C LIG 1 -0.870 0.319 0.431 0.00 0.00 +0.125 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 3.921 0.241 -1.054 0.00 0.00 +0.121 A ATOM 11 N LIG 1 3.134 -0.852 -0.957 0.00 0.00 -0.240 NA ATOM 12 C LIG 1 1.793 -0.680 -0.864 0.00 0.00 +0.121 A ATOM 13 C LIG 1 1.156 0.554 -0.864 0.00 0.00 +0.004 A ATOM 14 C LIG 1 1.968 1.677 -0.983 0.00 0.00 +0.013 A ATOM 15 C LIG 1 3.352 1.516 -1.087 0.00 0.00 +0.044 A BRANCH 10 19 ATOM 16 N LIG 1 6.735 -1.411 0.992 0.00 0.00 -0.300 NA ATOM 17 C LIG 1 5.912 -2.080 -0.052 0.00 0.00 +0.103 C ATOM 18 C LIG 1 5.771 -1.296 -1.382 0.00 0.00 +0.122 C ATOM 19 N LIG 1 5.312 0.094 -1.169 0.00 0.00 -0.313 N ATOM 20 C LIG 1 6.101 0.800 -0.138 0.00 0.00 +0.122 C ATOM 21 C LIG 1 6.218 -0.032 1.164 0.00 0.00 +0.103 C BRANCH 16 23 ATOM 22 C LIG 1 9.060 -1.034 1.806 0.00 0.00 +0.020 C ATOM 23 C LIG 1 8.163 -1.464 0.650 0.00 0.00 +0.081 C ENDBRANCH 16 23 ENDBRANCH 10 19 ENDBRANCH 1 13 BRANCH 6 24 ATOM 24 N LIG 1 -4.400 0.889 0.053 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -4.919 1.570 -0.489 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.941 0.714 1.391 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -6.437 0.612 1.312 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -7.079 -0.521 0.821 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -6.514 -1.773 0.261 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -7.783 -2.624 0.229 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -8.936 -1.751 0.204 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -8.464 -0.575 0.727 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -9.270 0.478 1.106 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -8.650 1.623 1.608 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -7.252 1.680 1.705 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -6.692 2.806 2.171 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 BRANCH 8 37 ATOM 37 C LIG 1 0.033 1.748 -3.890 0.00 0.00 +0.121 C ATOM 38 N LIG 1 0.978 1.893 -4.549 0.00 0.00 -0.189 NA ENDBRANCH 8 37 TORSDOF 7