REMARK Name = BDB060735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.118 -2.175 1.441 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.508 -0.865 1.362 0.00 0.00 +0.125 A ATOM 3 C LIG 1 2.704 -0.669 0.656 0.00 0.00 +0.092 A ATOM 4 C LIG 1 3.172 0.620 0.514 0.00 0.00 +0.143 A ATOM 5 O LIG 1 4.323 0.987 -0.142 0.00 0.00 -0.451 OA ATOM 6 C LIG 1 4.395 2.372 -0.034 0.00 0.00 +0.176 C ATOM 7 C LIG 1 3.230 2.902 0.725 0.00 0.00 +0.231 C ATOM 8 O LIG 1 2.955 4.047 1.010 0.00 0.00 -0.283 OA ATOM 9 C LIG 1 5.350 3.160 -0.544 0.00 0.00 +0.058 C ATOM 10 C LIG 1 2.478 1.697 1.050 0.00 0.00 +0.068 A ATOM 11 C LIG 1 1.296 1.542 1.743 0.00 0.00 +0.019 A ATOM 12 C LIG 1 0.808 0.238 1.896 0.00 0.00 +0.046 A BRANCH 9 13 ATOM 13 C LIG 1 6.514 2.704 -1.313 0.00 0.00 -0.021 A ATOM 14 C LIG 1 7.268 1.583 -0.941 0.00 0.00 +0.008 A ATOM 15 C LIG 1 8.389 1.202 -1.683 0.00 0.00 +0.001 A ATOM 16 C LIG 1 8.774 1.944 -2.797 0.00 0.00 +0.000 A ATOM 17 C LIG 1 8.043 3.071 -3.167 0.00 0.00 +0.001 A ATOM 18 C LIG 1 6.923 3.452 -2.425 0.00 0.00 +0.008 A ENDBRANCH 9 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.014 -2.517 2.284 0.00 0.00 +0.264 C BRANCH 19 26 ATOM 20 C LIG 1 -2.856 -2.594 -1.853 0.00 0.00 +0.047 C ATOM 21 C LIG 1 -2.746 -2.363 -0.373 0.00 0.00 -0.008 A ATOM 22 C LIG 1 -3.839 -1.954 0.407 0.00 0.00 +0.128 A ATOM 23 C LIG 1 -3.718 -1.832 1.802 0.00 0.00 -0.008 A ATOM 24 C LIG 1 -4.892 -1.517 2.685 0.00 0.00 +0.047 C ATOM 25 C LIG 1 -2.455 -2.004 2.390 0.00 0.00 +0.014 A ATOM 26 C LIG 1 -1.331 -2.324 1.617 0.00 0.00 -0.010 A ATOM 27 C LIG 1 -1.495 -2.523 0.241 0.00 0.00 +0.014 A BRANCH 22 28 ATOM 28 O LIG 1 -5.056 -1.776 -0.195 0.00 0.00 -0.475 OA BRANCH 28 29 ATOM 29 C LIG 1 -5.399 -0.424 -0.606 0.00 0.00 +0.200 C ATOM 30 C LIG 1 -4.368 0.684 -0.340 0.00 0.00 +0.067 C ATOM 31 C LIG 1 -5.723 -0.479 -2.104 0.00 0.00 +0.067 C BRANCH 29 32 ATOM 32 C LIG 1 -6.720 -0.081 0.106 0.00 0.00 +0.348 C ATOM 33 O LIG 1 -7.169 1.046 0.253 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 -7.388 -1.183 0.539 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -6.847 -1.984 0.356 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 22 28 ENDBRANCH 19 26 ENDBRANCH 1 19 TORSDOF 8