REMARK Name = BDB033649 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.022 1.875 2.236 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.370 1.819 3.586 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.493 2.658 4.128 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.311 0.953 4.455 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.369 0.158 4.005 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.781 0.212 2.670 0.00 0.00 -0.039 A ATOM 7 C LIG 1 1.102 1.079 1.802 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -0.653 2.755 1.200 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -3.114 0.388 -0.472 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -3.368 0.791 -1.827 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -2.307 0.502 -2.633 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -1.080 1.153 -2.557 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -0.039 0.771 -3.414 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -0.242 -0.235 -4.361 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -1.484 -0.857 -4.459 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -0.819 2.512 -1.456 0.00 0.00 +0.065 S ATOM 17 O LIG 1 0.611 2.765 -1.440 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -1.749 3.570 -1.789 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -1.214 1.926 0.092 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -2.515 -0.488 -3.597 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.652 1.604 0.337 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -4.926 -1.395 -0.617 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.438 -0.145 0.103 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.952 -0.643 2.190 0.00 0.00 +0.066 C BRANCH 24 25 ATOM 25 C LIG 1 2.551 -1.555 1.038 0.00 0.00 -0.002 A ATOM 26 S LIG 1 1.945 -3.126 1.375 0.00 0.00 -0.100 S ATOM 27 C LIG 1 1.766 -3.491 -0.285 0.00 0.00 +0.056 A ATOM 28 C LIG 1 2.150 -2.450 -1.109 0.00 0.00 +0.024 A ATOM 29 C LIG 1 2.585 -1.327 -0.326 0.00 0.00 +0.023 A BRANCH 28 30 ATOM 30 C LIG 1 2.130 -2.477 -2.575 0.00 0.00 +0.161 C ATOM 31 O LIG 1 2.594 -1.541 -3.228 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 1.547 -3.676 -3.279 0.00 0.00 +0.091 C ENDBRANCH 28 30 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 4.150 0.258 1.844 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 C LIG 1 5.395 -0.564 1.639 0.00 0.00 +0.306 C ATOM 35 O LIG 1 5.788 -1.420 2.419 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 6.078 -0.252 0.516 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 5.675 0.447 -0.034 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 6 24 TORSDOF 9