REMARK Name = BDB019115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.373 -0.582 0.286 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -1.120 -1.200 1.327 0.00 0.00 +0.096 A ATOM 3 N LIG 1 -2.491 -1.260 1.154 0.00 0.00 -0.269 N ATOM 4 C LIG 1 -3.010 -1.856 2.275 0.00 0.00 +0.208 A ATOM 5 N LIG 1 -2.072 -2.204 3.129 0.00 0.00 -0.224 NA ATOM 6 C LIG 1 -3.153 -0.760 0.013 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.448 -0.190 -0.928 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 -0.891 -1.794 2.551 0.00 0.00 +0.166 A ATOM 9 C LIG 1 -1.080 -0.121 -0.769 0.00 0.00 +0.125 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 3.851 -0.007 0.196 0.00 0.00 +0.121 A ATOM 11 N LIG 1 3.020 1.055 0.284 0.00 0.00 -0.240 NA ATOM 12 C LIG 1 1.683 0.839 0.315 0.00 0.00 +0.121 A ATOM 13 C LIG 1 1.089 -0.415 0.257 0.00 0.00 +0.004 A ATOM 14 C LIG 1 1.945 -1.507 0.173 0.00 0.00 +0.013 A ATOM 15 C LIG 1 3.327 -1.300 0.152 0.00 0.00 +0.044 A BRANCH 10 21 ATOM 16 C LIG 1 9.861 1.039 -2.057 0.00 0.00 +0.109 C ATOM 17 C LIG 1 9.188 1.567 -0.816 0.00 0.00 +0.213 C ATOM 18 N LIG 1 7.906 1.118 -0.556 0.00 0.00 -0.299 N ATOM 19 C LIG 1 7.172 0.146 -1.374 0.00 0.00 +0.126 C ATOM 20 C LIG 1 6.114 -0.650 -0.584 0.00 0.00 +0.125 C ATOM 21 N LIG 1 5.218 0.221 0.188 0.00 0.00 -0.312 N ATOM 22 C LIG 1 5.658 1.604 0.431 0.00 0.00 +0.125 C ATOM 23 C LIG 1 7.185 1.671 0.596 0.00 0.00 +0.126 C ATOM 24 O LIG 1 9.777 2.358 -0.079 0.00 0.00 -0.276 OA ENDBRANCH 10 21 ENDBRANCH 1 13 BRANCH 6 25 ATOM 25 N LIG 1 -4.524 -0.881 -0.073 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -4.954 -1.647 0.434 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -5.220 -0.578 -1.312 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 -6.698 -0.550 -1.055 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -7.328 0.536 -0.455 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.776 1.845 -0.030 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -7.963 2.363 0.782 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -9.165 1.686 0.348 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -8.699 0.534 -0.230 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -9.502 -0.532 -0.581 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -8.890 -1.641 -1.165 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -7.507 -1.644 -1.391 0.00 0.00 +0.129 A ATOM 37 F LIG 1 -6.952 -2.732 -1.943 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 BRANCH 8 38 ATOM 38 C LIG 1 0.358 -2.007 3.218 0.00 0.00 +0.121 C ATOM 39 N LIG 1 1.379 -2.192 3.740 0.00 0.00 -0.189 NA ENDBRANCH 8 38 TORSDOF 6