REMARK Name = BDB035960 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.052 0.896 0.448 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.130 0.374 -0.121 0.00 0.00 +0.106 A ATOM 3 C LIG 1 0.652 -0.445 0.862 0.00 0.00 +0.173 A ATOM 4 C LIG 1 1.842 -1.173 0.735 0.00 0.00 +0.055 A ATOM 5 C LIG 1 2.559 -1.057 -0.480 0.00 0.00 -0.016 A ATOM 6 C LIG 1 2.034 -0.246 -1.489 0.00 0.00 +0.003 A ATOM 7 C LIG 1 2.586 0.102 -2.823 0.00 0.00 +0.080 C ATOM 8 C LIG 1 1.349 0.739 -3.458 0.00 0.00 +0.234 C ATOM 9 O LIG 1 0.481 1.225 -2.410 0.00 0.00 -0.491 OA ATOM 10 O LIG 1 -0.172 -0.418 1.943 0.00 0.00 -0.353 OA ATOM 11 C LIG 1 0.843 0.458 -1.313 0.00 0.00 +0.138 A ATOM 12 N LIG 1 -1.246 0.420 1.682 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -1.901 1.773 -0.211 0.00 0.00 -0.196 N ATOM 14 H LIG 1 -1.740 1.949 -1.201 0.00 0.00 +0.175 HD BRANCH 13 15 ATOM 15 S LIG 1 -3.443 2.159 0.305 0.00 0.00 +0.081 S ATOM 16 O LIG 1 -4.079 2.834 -0.813 0.00 0.00 -0.150 OA ATOM 17 O LIG 1 -3.308 2.834 1.578 0.00 0.00 -0.150 OA BRANCH 15 19 ATOM 18 C LIG 1 -4.199 -0.334 -0.557 0.00 0.00 +0.150 A ATOM 19 C LIG 1 -4.261 0.600 0.488 0.00 0.00 +0.191 A ATOM 20 C LIG 1 -4.979 0.281 1.645 0.00 0.00 +0.150 A ATOM 21 C LIG 1 -5.607 -0.966 1.760 0.00 0.00 +0.048 A ATOM 22 C LIG 1 -5.497 -1.909 0.740 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -4.789 -1.595 -0.417 0.00 0.00 +0.048 A BRANCH 18 25 ATOM 24 C LIG 1 -4.413 0.140 -2.804 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.510 -0.060 -1.712 0.00 0.00 -0.493 OA ENDBRANCH 18 25 BRANCH 20 26 ATOM 26 O LIG 1 -5.197 1.197 2.636 0.00 0.00 -0.493 OA ATOM 27 C LIG 1 -4.429 0.890 3.802 0.00 0.00 +0.277 C ENDBRANCH 20 26 ENDBRANCH 15 19 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 5 28 ATOM 28 C LIG 1 3.865 -1.797 -0.642 0.00 0.00 +0.179 C BRANCH 28 29 ATOM 29 N LIG 1 4.912 -1.223 0.194 0.00 0.00 -0.267 N ATOM 30 N LIG 1 5.257 -1.822 1.351 0.00 0.00 -0.179 NA ATOM 31 C LIG 1 6.230 -1.046 1.834 0.00 0.00 +0.146 A ATOM 32 C LIG 1 6.532 0.043 0.989 0.00 0.00 +0.092 A ATOM 33 C LIG 1 5.657 -0.109 -0.073 0.00 0.00 +0.121 A BRANCH 32 34 ATOM 34 C LIG 1 7.553 1.086 1.229 0.00 0.00 +0.420 C ATOM 35 F LIG 1 8.002 1.635 0.071 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.066 2.103 1.984 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.639 0.597 1.879 0.00 0.00 -0.166 F ENDBRANCH 32 34 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 8