REMARK Name = BDB039141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.368 -4.493 -0.103 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.191 -3.164 0.239 0.00 0.00 -0.263 N ATOM 3 C LIG 1 2.853 -2.585 0.335 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.823 -1.087 0.500 0.00 0.00 +0.001 A ATOM 5 C LIG 1 4.007 -0.322 0.597 0.00 0.00 -0.039 A ATOM 6 C LIG 1 3.948 1.070 0.734 0.00 0.00 +0.006 A ATOM 7 C LIG 1 2.726 1.747 0.804 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.556 0.982 0.723 0.00 0.00 +0.069 A ATOM 9 N LIG 1 0.207 1.291 0.744 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.498 0.101 0.658 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.327 -0.919 0.529 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.347 -1.008 0.494 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.593 -0.401 0.578 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.264 -2.467 0.931 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.437 -5.087 -0.018 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -2.003 -0.028 0.673 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.449 -1.367 1.300 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.605 -2.473 0.255 0.00 0.00 +0.018 C ATOM 19 C LIG 1 -3.695 -2.141 -0.798 0.00 0.00 +0.065 C ATOM 20 C LIG 1 -3.299 -2.738 -2.164 0.00 0.00 +0.023 C ATOM 21 C LIG 1 -3.864 -0.603 -0.955 0.00 0.00 +0.018 C ATOM 22 C LIG 1 -2.553 0.152 -0.753 0.00 0.00 +0.012 C BRANCH 19 23 ATOM 23 C LIG 1 -5.042 -2.755 -0.378 0.00 0.00 +0.311 C ATOM 24 O LIG 1 -6.059 -2.112 -0.158 0.00 0.00 -0.250 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.038 -4.103 -0.268 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.181 -4.530 -0.452 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 10 16 BRANCH 1 28 ATOM 27 C LIG 1 3.364 -6.446 -0.917 0.00 0.00 +0.282 C ATOM 28 O LIG 1 3.220 -5.075 -0.547 0.00 0.00 -0.454 OA ENDBRANCH 1 28 BRANCH 9 29 ATOM 29 C LIG 1 -0.373 2.637 0.817 0.00 0.00 +0.090 C ATOM 30 C LIG 1 -0.072 3.302 2.164 0.00 0.00 +0.031 C BRANCH 29 31 ATOM 31 C LIG 1 0.023 3.495 -0.403 0.00 0.00 +0.060 C BRANCH 31 32 ATOM 32 C LIG 1 -0.832 4.730 -0.566 0.00 0.00 -0.045 A ATOM 33 C LIG 1 -2.107 4.640 -1.143 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -2.904 5.777 -1.277 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.436 7.014 -0.838 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.170 7.115 -0.265 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -0.371 5.979 -0.129 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 9 29 TORSDOF 7