REMARK Name = BDB035975 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.537 -0.740 0.957 0.00 0.00 +0.192 A ATOM 2 C LIG 1 -0.144 -0.877 0.772 0.00 0.00 +0.106 A ATOM 3 C LIG 1 0.410 0.073 1.609 0.00 0.00 +0.173 A ATOM 4 C LIG 1 1.785 0.295 1.749 0.00 0.00 +0.055 A ATOM 5 C LIG 1 2.665 -0.503 0.980 0.00 0.00 -0.016 A ATOM 6 C LIG 1 2.119 -1.473 0.136 0.00 0.00 +0.003 A ATOM 7 C LIG 1 2.783 -2.397 -0.820 0.00 0.00 +0.080 C ATOM 8 C LIG 1 1.617 -3.338 -1.121 0.00 0.00 +0.234 C ATOM 9 O LIG 1 0.374 -2.642 -0.874 0.00 0.00 -0.491 OA ATOM 10 O LIG 1 -0.592 0.738 2.244 0.00 0.00 -0.353 OA ATOM 11 C LIG 1 0.740 -1.655 0.030 0.00 0.00 +0.138 A ATOM 12 N LIG 1 -1.816 0.232 1.830 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -2.482 -1.498 0.285 0.00 0.00 -0.196 N ATOM 14 H LIG 1 -2.178 -2.177 -0.409 0.00 0.00 +0.175 HD BRANCH 13 16 ATOM 15 O LIG 1 -4.325 -1.771 2.004 0.00 0.00 -0.150 OA ATOM 16 S LIG 1 -4.117 -1.486 0.603 0.00 0.00 +0.076 S ATOM 17 O LIG 1 -4.704 -2.348 -0.407 0.00 0.00 -0.150 OA BRANCH 16 18 ATOM 18 C LIG 1 -4.611 0.155 0.198 0.00 0.00 +0.144 A ATOM 19 C LIG 1 -5.094 1.016 1.173 0.00 0.00 +0.150 A ATOM 20 F LIG 1 -5.205 0.650 2.455 0.00 0.00 -0.203 F ATOM 21 C LIG 1 -5.488 2.308 0.829 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -5.407 2.736 -0.497 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -4.936 1.868 -1.482 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -4.540 0.574 -1.139 0.00 0.00 +0.032 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 5 25 ATOM 25 C LIG 1 4.153 -0.267 1.078 0.00 0.00 +0.179 C BRANCH 25 26 ATOM 26 N LIG 1 4.548 0.948 0.380 0.00 0.00 -0.267 N ATOM 27 N LIG 1 4.699 2.101 1.065 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 5.072 2.978 0.130 0.00 0.00 +0.134 A ATOM 29 C LIG 1 5.176 2.392 -1.144 0.00 0.00 +0.041 A ATOM 30 C LIG 1 4.839 1.073 -0.950 0.00 0.00 +0.108 A ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 5