REMARK Name = BDB047844 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.214 -2.382 0.295 0.00 0.00 +0.021 C ATOM 2 C LIG 1 0.446 -3.333 -0.921 0.00 0.00 +0.016 C ATOM 3 C LIG 1 -0.737 -4.262 -1.219 0.00 0.00 +0.001 C ATOM 4 C LIG 1 -1.478 -4.738 0.026 0.00 0.00 +0.000 C ATOM 5 C LIG 1 -0.612 -4.686 1.273 0.00 0.00 +0.001 C ATOM 6 C LIG 1 0.033 -3.317 1.542 0.00 0.00 +0.016 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.598 0.227 1.242 0.00 0.00 +0.125 A ATOM 8 C LIG 1 3.740 -0.702 0.206 0.00 0.00 -0.008 A ATOM 9 C LIG 1 5.007 -0.812 -0.591 0.00 0.00 +0.047 C ATOM 10 C LIG 1 2.648 -1.533 -0.108 0.00 0.00 +0.011 A ATOM 11 C LIG 1 1.442 -1.478 0.615 0.00 0.00 -0.036 A ATOM 12 C LIG 1 1.361 -0.558 1.679 0.00 0.00 +0.008 A ATOM 13 C LIG 1 2.429 0.281 1.995 0.00 0.00 +0.046 A BRANCH 7 14 ATOM 14 O LIG 1 4.627 1.065 1.588 0.00 0.00 -0.477 OA BRANCH 14 15 ATOM 15 C LIG 1 4.593 2.284 0.804 0.00 0.00 +0.281 C BRANCH 15 17 ATOM 16 C LIG 1 3.857 4.719 0.964 0.00 0.00 +0.008 C ATOM 17 C LIG 1 4.173 3.437 1.720 0.00 0.00 +0.053 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 6.019 2.503 0.291 0.00 0.00 +0.346 C ATOM 19 O LIG 1 6.329 3.309 -0.574 0.00 0.00 -0.247 OA BRANCH 18 20 ATOM 20 O LIG 1 6.937 1.713 0.906 0.00 0.00 -0.478 OA ATOM 21 H LIG 1 6.479 1.120 1.543 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 15 18 ENDBRANCH 14 15 ENDBRANCH 7 14 ENDBRANCH 1 11 BRANCH 1 22 ATOM 22 C LIG 1 -0.992 -1.459 -0.038 0.00 0.00 -0.036 A ATOM 23 C LIG 1 -2.174 -1.420 0.719 0.00 0.00 +0.011 A ATOM 24 C LIG 1 -3.237 -0.558 0.388 0.00 0.00 -0.008 A ATOM 25 C LIG 1 -4.486 -0.563 1.228 0.00 0.00 +0.047 C ATOM 26 C LIG 1 -3.130 0.292 -0.724 0.00 0.00 +0.125 A ATOM 27 C LIG 1 -1.957 0.280 -1.474 0.00 0.00 +0.046 A ATOM 28 C LIG 1 -0.908 -0.582 -1.136 0.00 0.00 +0.008 A BRANCH 26 29 ATOM 29 O LIG 1 -4.209 1.099 -0.955 0.00 0.00 -0.477 OA BRANCH 29 30 ATOM 30 C LIG 1 -4.326 1.776 -2.206 0.00 0.00 +0.281 C BRANCH 30 31 ATOM 31 C LIG 1 -5.801 1.835 -2.614 0.00 0.00 +0.346 C ATOM 32 O LIG 1 -6.357 2.744 -3.214 0.00 0.00 -0.247 OA BRANCH 31 33 ATOM 33 O LIG 1 -6.495 0.717 -2.313 0.00 0.00 -0.478 OA ATOM 34 H LIG 1 -7.401 0.900 -2.635 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 BRANCH 30 35 ATOM 35 C LIG 1 -3.736 3.193 -2.101 0.00 0.00 +0.053 C ATOM 36 C LIG 1 -4.276 3.998 -0.923 0.00 0.00 +0.008 C ENDBRANCH 30 35 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 22 TORSDOF 12