REMARK Name = BDB047294 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.178 -0.930 -2.081 0.00 0.00 -0.004 A ATOM 2 C LIG 1 -1.221 -0.469 -1.133 0.00 0.00 +0.132 A ATOM 3 C LIG 1 -1.612 0.017 0.136 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -2.978 0.111 0.367 0.00 0.00 +0.175 A ATOM 5 C LIG 1 -3.904 -0.285 -0.572 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -5.206 -0.029 0.006 0.00 0.00 +0.291 A ATOM 7 N LIG 1 -4.973 0.373 1.307 0.00 0.00 -0.168 N ATOM 8 O LIG 1 -6.256 -0.121 -0.602 0.00 0.00 -0.264 OA ATOM 9 O LIG 1 -3.569 0.576 1.516 0.00 0.00 -0.373 OA ATOM 10 C LIG 1 -3.549 -0.813 -1.794 0.00 0.00 +0.024 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -5.807 1.305 2.062 0.00 0.00 +0.121 C ATOM 12 C LIG 1 -7.177 0.703 2.372 0.00 0.00 +0.034 C ATOM 13 C LIG 1 -5.949 2.650 1.349 0.00 0.00 +0.034 C ENDBRANCH 7 11 BRANCH 1 14 ATOM 14 C LIG 1 -1.775 -1.624 -3.363 0.00 0.00 +0.038 C BRANCH 14 16 ATOM 15 C LIG 1 -0.949 -3.772 -4.396 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -1.429 -3.096 -3.122 0.00 0.00 +0.001 C ENDBRANCH 14 16 ENDBRANCH 1 14 BRANCH 2 17 ATOM 17 O LIG 1 0.114 -0.604 -1.444 0.00 0.00 -0.472 OA BRANCH 17 18 ATOM 18 C LIG 1 0.720 0.642 -1.841 0.00 0.00 +0.311 C BRANCH 18 19 ATOM 19 C LIG 1 2.070 0.799 -1.150 0.00 0.00 +0.004 A ATOM 20 C LIG 1 2.934 -0.294 -0.984 0.00 0.00 +0.008 A ATOM 21 C LIG 1 4.167 -0.138 -0.348 0.00 0.00 +0.004 A ATOM 22 C LIG 1 4.564 1.114 0.137 0.00 0.00 -0.047 A ATOM 23 C LIG 1 3.714 2.211 -0.046 0.00 0.00 +0.004 A ATOM 24 C LIG 1 2.482 2.057 -0.687 0.00 0.00 +0.008 A BRANCH 22 25 ATOM 25 C LIG 1 5.892 1.283 0.837 0.00 0.00 +0.038 C BRANCH 25 26 ATOM 26 C LIG 1 6.009 0.507 2.166 0.00 0.00 -0.013 C ATOM 27 C LIG 1 5.029 1.028 3.221 0.00 0.00 +0.007 C ATOM 28 C LIG 1 7.442 0.603 2.697 0.00 0.00 +0.007 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 18 19 BRANCH 18 29 ATOM 29 C LIG 1 0.900 0.747 -3.361 0.00 0.00 +0.351 C ATOM 30 O LIG 1 0.559 1.694 -4.056 0.00 0.00 -0.246 OA BRANCH 29 31 ATOM 31 O LIG 1 1.508 -0.318 -3.932 0.00 0.00 -0.478 OA ATOM 32 H LIG 1 1.575 -0.079 -4.879 0.00 0.00 +0.295 HD ENDBRANCH 29 31 ENDBRANCH 18 29 ENDBRANCH 17 18 ENDBRANCH 2 17 BRANCH 3 33 ATOM 33 C LIG 1 -0.651 0.349 1.248 0.00 0.00 +0.042 C BRANCH 33 34 ATOM 34 C LIG 1 -0.501 -0.771 2.284 0.00 0.00 +0.001 C ATOM 35 C LIG 1 0.235 -1.992 1.749 0.00 0.00 +0.004 C ENDBRANCH 33 34 ENDBRANCH 3 33 TORSDOF 12