REMARK Name = BDB053549 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.638 1.119 0.896 0.00 0.00 -0.044 A ATOM 2 C LIG 1 -1.879 1.958 0.073 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -0.514 1.725 -0.103 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.116 0.655 0.536 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.635 -0.185 1.356 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.004 0.047 1.536 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -4.115 1.368 1.087 0.00 0.00 +0.078 C BRANCH 7 8 ATOM 8 C LIG 1 -4.984 0.963 -0.114 0.00 0.00 +0.230 C BRANCH 8 9 ATOM 9 C LIG 1 -5.175 -0.558 -0.104 0.00 0.00 +0.334 C ATOM 10 O LIG 1 -6.098 -1.183 0.394 0.00 0.00 -0.248 OA BRANCH 9 11 ATOM 11 O LIG 1 -4.193 -1.217 -0.753 0.00 0.00 -0.479 OA ATOM 12 H LIG 1 -4.444 -2.161 -0.671 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 13 ATOM 13 O LIG 1 -6.225 1.670 0.030 0.00 0.00 -0.365 OA BRANCH 13 15 ATOM 14 C LIG 1 -6.667 2.686 -2.129 0.00 0.00 +0.034 C ATOM 15 C LIG 1 -7.066 1.623 -1.121 0.00 0.00 +0.157 C ENDBRANCH 13 15 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 16 ATOM 16 O LIG 1 1.454 0.546 0.277 0.00 0.00 -0.486 OA BRANCH 16 17 ATOM 17 C LIG 1 2.163 -0.509 0.933 0.00 0.00 +0.288 C BRANCH 17 18 ATOM 18 C LIG 1 3.614 -0.477 0.591 0.00 0.00 +0.120 A ATOM 19 C LIG 1 4.459 0.604 0.466 0.00 0.00 +0.129 A ATOM 20 C LIG 1 4.305 2.063 0.594 0.00 0.00 +0.088 C ATOM 21 O LIG 1 5.697 0.133 0.140 0.00 0.00 -0.440 OA ATOM 22 C LIG 1 5.555 -1.235 0.085 0.00 0.00 +0.234 A ATOM 23 N LIG 1 4.325 -1.638 0.361 0.00 0.00 -0.210 NA BRANCH 22 24 ATOM 24 C LIG 1 6.628 -2.139 -0.231 0.00 0.00 +0.074 A ATOM 25 S LIG 1 8.205 -1.579 -0.598 0.00 0.00 -0.092 S ATOM 26 C LIG 1 8.791 -3.170 -0.830 0.00 0.00 +0.046 A ATOM 27 C LIG 1 7.810 -4.114 -0.631 0.00 0.00 +0.008 A ATOM 28 C LIG 1 6.561 -3.519 -0.286 0.00 0.00 +0.021 A ENDBRANCH 22 24 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 4 16 TORSDOF 10