REMARK Name = BDB060742 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.114 -1.241 -1.272 0.00 0.00 +0.125 A ATOM 2 C LIG 1 1.159 -0.657 -1.189 0.00 0.00 +0.092 A ATOM 3 C LIG 1 2.056 -1.179 -0.282 0.00 0.00 +0.143 A ATOM 4 O LIG 1 3.339 -0.731 -0.075 0.00 0.00 -0.451 OA ATOM 5 C LIG 1 3.868 -1.544 0.922 0.00 0.00 +0.176 C ATOM 6 C LIG 1 2.866 -2.551 1.366 0.00 0.00 +0.231 C ATOM 7 O LIG 1 2.969 -3.417 2.208 0.00 0.00 -0.283 OA ATOM 8 C LIG 1 5.095 -1.456 1.452 0.00 0.00 +0.058 C ATOM 9 C LIG 1 1.709 -2.250 0.533 0.00 0.00 +0.068 A ATOM 10 C LIG 1 0.465 -2.842 0.485 0.00 0.00 +0.019 A ATOM 11 C LIG 1 -0.457 -2.322 -0.433 0.00 0.00 +0.046 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 6.122 -0.479 1.071 0.00 0.00 -0.021 A ATOM 13 C LIG 1 6.910 0.097 2.074 0.00 0.00 +0.008 A ATOM 14 C LIG 1 7.920 1.009 1.753 0.00 0.00 +0.004 A ATOM 15 C LIG 1 8.175 1.358 0.420 0.00 0.00 -0.045 A ATOM 16 C LIG 1 7.396 0.765 -0.583 0.00 0.00 +0.004 A ATOM 17 C LIG 1 6.385 -0.147 -0.262 0.00 0.00 +0.008 A BRANCH 15 18 ATOM 18 C LIG 1 9.266 2.345 0.046 0.00 0.00 +0.013 C ATOM 19 C LIG 1 9.002 3.729 0.645 0.00 0.00 +0.012 C ATOM 20 C LIG 1 10.650 1.832 0.448 0.00 0.00 +0.012 C ENDBRANCH 15 18 ENDBRANCH 8 12 BRANCH 1 21 ATOM 21 O LIG 1 -0.939 -0.652 -2.192 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 -2.161 -1.309 -2.538 0.00 0.00 +0.264 C BRANCH 22 29 ATOM 23 C LIG 1 -6.457 -2.714 -0.365 0.00 0.00 +0.047 C ATOM 24 C LIG 1 -5.416 -1.649 -0.562 0.00 0.00 -0.008 A ATOM 25 C LIG 1 -5.511 -0.382 0.038 0.00 0.00 +0.128 A ATOM 26 C LIG 1 -4.466 0.547 -0.096 0.00 0.00 -0.008 A ATOM 27 C LIG 1 -4.462 1.866 0.621 0.00 0.00 +0.047 C ATOM 28 C LIG 1 -3.392 0.246 -0.948 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -3.306 -0.988 -1.603 0.00 0.00 -0.010 A ATOM 30 C LIG 1 -4.328 -1.925 -1.405 0.00 0.00 +0.014 A BRANCH 25 31 ATOM 31 O LIG 1 -6.588 -0.097 0.836 0.00 0.00 -0.475 OA BRANCH 31 32 ATOM 32 C LIG 1 -7.665 0.613 0.198 0.00 0.00 +0.200 C ATOM 33 C LIG 1 -7.960 1.839 1.085 0.00 0.00 +0.067 C ATOM 34 C LIG 1 -8.914 -0.284 0.282 0.00 0.00 +0.067 C BRANCH 32 35 ATOM 35 C LIG 1 -7.505 1.116 -1.262 0.00 0.00 +0.348 C ATOM 36 O LIG 1 -7.218 2.251 -1.618 0.00 0.00 -0.247 OA BRANCH 35 37 ATOM 37 O LIG 1 -7.697 0.161 -2.199 0.00 0.00 -0.478 OA ATOM 38 H LIG 1 -7.489 0.618 -3.040 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 25 31 ENDBRANCH 22 29 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 9