REMARK Name = BDB053615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.710 -0.198 0.974 0.00 0.00 -0.040 A ATOM 2 C LIG 1 0.045 -1.223 0.280 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -1.278 -1.056 -0.127 0.00 0.00 +0.124 A ATOM 4 C LIG 1 -1.937 0.140 0.166 0.00 0.00 +0.091 A ATOM 5 C LIG 1 -1.295 1.169 0.857 0.00 0.00 +0.124 A ATOM 6 C LIG 1 0.029 0.996 1.260 0.00 0.00 +0.049 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.150 -0.372 1.403 0.00 0.00 +0.050 C BRANCH 7 8 ATOM 8 C LIG 1 3.149 -0.330 0.234 0.00 0.00 +0.102 C BRANCH 8 9 ATOM 9 C LIG 1 3.116 1.007 -0.473 0.00 0.00 +0.308 C ATOM 10 O LIG 1 3.062 1.171 -1.681 0.00 0.00 -0.251 OA BRANCH 9 11 ATOM 11 O LIG 1 3.216 2.069 0.349 0.00 0.00 -0.480 OA ATOM 12 H LIG 1 3.190 2.834 -0.265 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 13 ATOM 13 C LIG 1 4.573 -0.637 0.732 0.00 0.00 +0.015 C BRANCH 13 14 ATOM 14 C LIG 1 5.573 -0.831 -0.413 0.00 0.00 +0.001 C BRANCH 14 16 ATOM 15 C LIG 1 7.955 -1.396 -1.013 0.00 0.00 +0.004 C ATOM 16 C LIG 1 6.958 -1.202 0.118 0.00 0.00 -0.003 C ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 17 ATOM 17 O LIG 1 -2.032 -1.971 -0.809 0.00 0.00 -0.492 OA BRANCH 17 18 ATOM 18 C LIG 1 -1.398 -3.196 -1.186 0.00 0.00 +0.233 C BRANCH 18 19 ATOM 19 C LIG 1 -2.397 -4.060 -1.961 0.00 0.00 +0.076 C BRANCH 19 20 ATOM 20 C LIG 1 -3.386 -4.761 -1.058 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -4.473 -4.062 -0.516 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -5.381 -4.706 0.326 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -5.210 -6.054 0.636 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.131 -6.758 0.106 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.222 -6.115 -0.737 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 BRANCH 5 26 ATOM 26 O LIG 1 -2.063 2.280 1.071 0.00 0.00 -0.492 OA BRANCH 26 27 ATOM 27 C LIG 1 -1.470 3.358 1.799 0.00 0.00 +0.233 C BRANCH 27 28 ATOM 28 C LIG 1 -2.486 4.497 1.924 0.00 0.00 +0.076 C BRANCH 28 29 ATOM 29 C LIG 1 -2.584 5.333 0.668 0.00 0.00 -0.044 A ATOM 30 C LIG 1 -1.979 6.596 0.603 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.062 7.361 -0.562 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.747 6.872 -1.672 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.350 5.617 -1.619 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.269 4.851 -0.456 0.00 0.00 +0.004 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 15