REMARK Name = BDB047675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.266 -0.696 0.572 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -2.237 -0.071 1.420 0.00 0.00 -0.491 OA BRANCH 2 11 ATOM 3 C LIG 1 -4.587 0.139 1.137 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -5.611 0.794 0.441 0.00 0.00 +0.174 A ATOM 5 C LIG 1 -5.425 1.750 -0.542 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -6.743 2.107 -0.937 0.00 0.00 +0.193 A ATOM 7 N LIG 1 -7.660 1.405 -0.247 0.00 0.00 -0.073 NA ATOM 8 C LIG 1 -4.114 2.120 -0.886 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -3.052 1.492 -0.223 0.00 0.00 +0.047 A ATOM 10 O LIG 1 -6.946 0.594 0.615 0.00 0.00 -0.354 OA ATOM 11 C LIG 1 -3.284 0.508 0.747 0.00 0.00 +0.127 A BRANCH 6 12 ATOM 12 C LIG 1 -7.135 3.094 -1.978 0.00 0.00 +0.438 C ATOM 13 F LIG 1 -6.253 4.130 -2.056 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -8.356 3.651 -1.766 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -7.170 2.534 -3.218 0.00 0.00 -0.164 F ENDBRANCH 6 12 BRANCH 3 16 ATOM 16 C LIG 1 -4.852 -0.893 2.202 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -5.776 -2.744 0.707 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -4.708 -2.337 1.713 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 3 16 ENDBRANCH 2 11 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.091 -0.050 0.811 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 1.178 -0.703 -0.033 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 2.405 -0.026 0.239 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 3.524 -0.473 -0.412 0.00 0.00 +0.122 A ATOM 23 C LIG 1 4.696 0.212 -0.067 0.00 0.00 +0.072 A ATOM 24 C LIG 1 5.904 -0.165 -0.677 0.00 0.00 +0.053 A ATOM 25 C LIG 1 5.962 -1.200 -1.613 0.00 0.00 +0.000 A ATOM 26 C LIG 1 7.316 -1.320 -2.028 0.00 0.00 +0.027 A ATOM 27 C LIG 1 8.048 -0.371 -1.353 0.00 0.00 +0.087 A ATOM 28 C LIG 1 4.776 -1.879 -1.949 0.00 0.00 +0.013 A ATOM 29 N LIG 1 7.191 0.316 -0.531 0.00 0.00 -0.336 N ATOM 30 C LIG 1 3.566 -1.508 -1.344 0.00 0.00 +0.046 A BRANCH 29 31 ATOM 31 C LIG 1 7.582 1.431 0.318 0.00 0.00 +0.242 C BRANCH 31 32 ATOM 32 C LIG 1 7.775 1.030 1.755 0.00 0.00 +0.325 C ATOM 33 O LIG 1 7.928 -0.087 2.219 0.00 0.00 -0.249 OA BRANCH 32 34 ATOM 34 O LIG 1 7.813 2.104 2.576 0.00 0.00 -0.479 OA ATOM 35 H LIG 1 7.950 1.714 3.466 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12