REMARK Name = BDB010333 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.956 -0.671 0.377 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.720 -1.311 0.271 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.541 -2.554 0.867 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.712 -3.044 0.662 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.330 -2.135 -0.044 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.487 -3.211 1.554 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.635 -2.541 1.601 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.502 -1.062 -0.321 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.914 -1.332 1.062 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.761 -3.173 2.325 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.940 -2.529 2.380 0.00 0.00 -0.269 N ATOM 12 H LIG 1 5.165 -1.644 1.958 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 5.777 -3.308 3.076 0.00 0.00 +0.440 A ATOM 14 O LIG 1 6.945 -3.058 3.326 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.100 -4.440 3.460 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.770 -4.311 2.941 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 -2.608 -2.178 -0.512 0.00 0.00 -0.295 N ATOM 18 C LIG 1 -2.907 -3.336 -1.405 0.00 0.00 +0.107 C ATOM 19 C LIG 1 -3.318 -4.592 -0.620 0.00 0.00 +0.025 C ATOM 20 C LIG 1 -4.388 -4.329 0.434 0.00 0.00 +0.003 C ATOM 21 C LIG 1 -3.985 -3.168 1.330 0.00 0.00 +0.019 C ATOM 22 C LIG 1 -3.647 -1.925 0.512 0.00 0.00 +0.108 C BRANCH 18 23 ATOM 23 C LIG 1 -3.935 -2.946 -2.482 0.00 0.00 +0.235 C ATOM 24 F LIG 1 -5.161 -2.713 -1.940 0.00 0.00 -0.247 F ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 25 ATOM 25 N LIG 1 2.257 0.557 -0.192 0.00 0.00 -0.324 N ATOM 26 H LIG 1 1.453 1.134 -0.390 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 2.957 2.193 1.479 0.00 0.00 +0.028 C ATOM 28 C LIG 1 3.405 1.315 0.309 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 4.010 2.204 -0.786 0.00 0.00 +0.009 C ATOM 30 C LIG 1 4.468 1.518 -2.104 0.00 0.00 +0.005 C ATOM 31 C LIG 1 4.108 2.835 -2.825 0.00 0.00 +0.001 C ATOM 32 C LIG 1 3.106 3.102 -1.681 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 -0.874 0.053 -1.173 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -1.791 1.106 -0.514 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -2.072 2.272 -1.486 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -1.203 3.492 -1.198 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.413 4.039 0.226 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -2.402 5.205 0.239 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -1.862 2.950 1.215 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -1.265 1.597 0.848 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8