REMARK Name = BDB039273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.167 -3.850 0.024 0.00 0.00 +0.139 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.704 -2.532 -0.430 0.00 0.00 +0.113 A ATOM 3 S LIG 1 2.961 -1.723 0.416 0.00 0.00 -0.050 S ATOM 4 C LIG 1 2.854 -0.459 -0.752 0.00 0.00 +0.132 A ATOM 5 N LIG 1 1.961 -0.705 -1.692 0.00 0.00 -0.141 NA ATOM 6 N LIG 1 1.300 -1.900 -1.512 0.00 0.00 -0.145 NA BRANCH 4 7 ATOM 7 C LIG 1 3.688 0.756 -0.700 0.00 0.00 +0.015 A ATOM 8 C LIG 1 4.614 1.018 0.324 0.00 0.00 +0.052 A ATOM 9 C LIG 1 5.371 2.192 0.312 0.00 0.00 +0.162 A ATOM 10 F LIG 1 6.246 2.409 1.304 0.00 0.00 -0.202 F ATOM 11 C LIG 1 5.228 3.122 -0.705 0.00 0.00 +0.193 A ATOM 12 F LIG 1 5.961 4.244 -0.705 0.00 0.00 -0.199 F ATOM 13 C LIG 1 4.318 2.879 -1.720 0.00 0.00 +0.162 A ATOM 14 F LIG 1 4.164 3.765 -2.713 0.00 0.00 -0.202 F ATOM 15 C LIG 1 3.554 1.712 -1.725 0.00 0.00 +0.052 A ENDBRANCH 4 7 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 S LIG 1 0.238 -3.772 1.597 0.00 0.00 -0.118 S BRANCH 16 22 ATOM 17 C LIG 1 -2.303 0.631 2.905 0.00 0.00 +0.047 C ATOM 18 C LIG 1 -2.130 -0.482 1.907 0.00 0.00 -0.008 A ATOM 19 C LIG 1 -2.899 -0.519 0.732 0.00 0.00 +0.124 A ATOM 20 C LIG 1 -2.725 -1.572 -0.170 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -1.781 -2.574 0.082 0.00 0.00 +0.018 A ATOM 22 C LIG 1 -0.991 -2.530 1.230 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -1.182 -1.491 2.146 0.00 0.00 +0.021 A BRANCH 19 24 ATOM 24 O LIG 1 -3.794 0.506 0.576 0.00 0.00 -0.481 OA BRANCH 24 25 ATOM 25 C LIG 1 -4.439 0.624 -0.685 0.00 0.00 +0.349 C BRANCH 25 26 ATOM 26 C LIG 1 -5.286 1.880 -0.751 0.00 0.00 +0.343 C ATOM 27 O LIG 1 -6.337 1.996 -1.365 0.00 0.00 -0.247 OA BRANCH 26 28 ATOM 28 O LIG 1 -4.756 2.943 -0.113 0.00 0.00 -0.478 OA ATOM 29 H LIG 1 -5.406 3.662 -0.255 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 19 24 ENDBRANCH 16 22 ENDBRANCH 1 16 TORSDOF 8