REMARK Name = BDB045835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.623 0.479 1.069 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.749 -0.098 -0.042 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 0.614 0.166 0.296 0.00 0.00 -0.492 OA BRANCH 3 6 ATOM 4 C LIG 1 3.957 -0.308 -1.036 0.00 0.00 +0.124 A ATOM 5 C LIG 1 2.882 0.062 -0.225 0.00 0.00 +0.091 A ATOM 6 C LIG 1 1.568 -0.258 -0.590 0.00 0.00 +0.124 A ATOM 7 C LIG 1 1.332 -0.956 -1.775 0.00 0.00 +0.046 A ATOM 8 C LIG 1 2.402 -1.327 -2.590 0.00 0.00 +0.007 A ATOM 9 C LIG 1 3.707 -1.003 -2.220 0.00 0.00 +0.046 A BRANCH 4 10 ATOM 10 O LIG 1 5.278 -0.054 -0.792 0.00 0.00 -0.487 OA BRANCH 10 11 ATOM 11 C LIG 1 5.594 0.639 0.413 0.00 0.00 +0.264 C BRANCH 11 16 ATOM 12 C LIG 1 11.391 1.151 0.707 0.00 0.00 +0.044 C ATOM 13 C LIG 1 9.897 1.029 0.660 0.00 0.00 -0.050 A ATOM 14 C LIG 1 9.282 -0.210 0.871 0.00 0.00 +0.004 A ATOM 15 C LIG 1 7.892 -0.332 0.794 0.00 0.00 +0.007 A ATOM 16 C LIG 1 7.094 0.781 0.498 0.00 0.00 -0.010 A ATOM 17 C LIG 1 7.714 2.014 0.263 0.00 0.00 +0.007 A ATOM 18 C LIG 1 9.104 2.136 0.341 0.00 0.00 +0.004 A ENDBRANCH 11 16 ENDBRANCH 10 11 ENDBRANCH 4 10 ENDBRANCH 3 6 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -3.109 0.361 0.751 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 -3.436 -1.017 0.581 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 -4.753 -1.321 0.355 0.00 0.00 +0.121 A ATOM 22 C LIG 1 -5.779 -0.394 0.139 0.00 0.00 +0.056 A ATOM 23 C LIG 1 -7.100 -0.848 -0.078 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -7.343 -2.221 -0.066 0.00 0.00 +0.047 A ATOM 25 N LIG 1 -8.689 -2.398 -0.277 0.00 0.00 -0.360 N ATOM 26 H LIG 1 -9.150 -3.297 -0.305 0.00 0.00 +0.165 HD ATOM 27 C LIG 1 -9.305 -1.187 -0.448 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -6.333 -3.166 0.140 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -8.351 -0.193 -0.328 0.00 0.00 -0.012 A ATOM 30 C LIG 1 -5.035 -2.688 0.345 0.00 0.00 +0.047 A BRANCH 29 31 ATOM 31 C LIG 1 -8.585 1.277 -0.472 0.00 0.00 +0.157 C BRANCH 31 32 ATOM 32 C LIG 1 -8.428 2.068 0.813 0.00 0.00 +0.309 C ATOM 33 O LIG 1 -8.034 1.647 1.889 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -8.758 3.377 0.649 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 -9.061 3.605 -0.251 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12