REMARK Name = BDB034405 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.381 -0.406 1.076 0.00 0.00 -0.343 N ATOM 2 H LIG 1 -0.481 -0.068 2.030 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.562 -1.024 0.627 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -2.833 -0.491 1.002 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -3.996 -1.136 0.511 0.00 0.00 +0.076 A ATOM 6 C LIG 1 -5.247 -0.658 0.873 0.00 0.00 +0.074 A ATOM 7 C LIG 1 -5.390 0.468 1.685 0.00 0.00 +0.130 A ATOM 8 C LIG 1 -4.267 1.114 2.179 0.00 0.00 +0.047 A ATOM 9 N LIG 1 -3.952 -2.197 -0.305 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -2.743 -2.641 -0.691 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -3.001 0.646 1.832 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -1.546 -2.091 -0.272 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 O LIG 1 -6.617 0.947 2.083 0.00 0.00 -0.456 OA BRANCH 13 14 ATOM 14 C LIG 1 -7.576 1.119 1.110 0.00 0.00 +0.129 A ATOM 15 C LIG 1 -8.868 0.687 1.417 0.00 0.00 +0.049 A ATOM 16 C LIG 1 -9.897 0.863 0.490 0.00 0.00 +0.042 A ATOM 17 C LIG 1 -9.624 1.481 -0.725 0.00 0.00 +0.124 A ATOM 18 F LIG 1 -10.613 1.651 -1.613 0.00 0.00 -0.205 F ATOM 19 C LIG 1 -8.345 1.934 -1.031 0.00 0.00 +0.042 A ATOM 20 C LIG 1 -7.314 1.760 -0.106 0.00 0.00 +0.049 A ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 0.944 -0.967 0.834 0.00 0.00 +0.103 C BRANCH 21 22 ATOM 22 C LIG 1 1.516 -0.447 -0.485 0.00 0.00 +0.034 C BRANCH 22 23 ATOM 23 C LIG 1 2.886 -1.068 -0.765 0.00 0.00 +0.083 C BRANCH 23 24 ATOM 24 N LIG 1 3.449 -0.493 -1.996 0.00 0.00 -0.312 NA ATOM 25 H LIG 1 2.797 -0.671 -2.763 0.00 0.00 +0.122 HD BRANCH 24 26 ATOM 26 C LIG 1 4.739 -1.115 -2.345 0.00 0.00 +0.120 C BRANCH 26 29 ATOM 27 C LIG 1 7.156 0.980 -0.190 0.00 0.00 +0.162 A ATOM 28 C LIG 1 6.045 0.608 -0.964 0.00 0.00 +0.163 A ATOM 29 C LIG 1 5.885 -0.705 -1.447 0.00 0.00 +0.011 A ATOM 30 C LIG 1 6.880 -1.646 -1.144 0.00 0.00 +0.009 A ATOM 31 C LIG 1 7.984 -1.290 -0.370 0.00 0.00 +0.004 A ATOM 32 C LIG 1 8.123 0.017 0.105 0.00 0.00 +0.049 A BRANCH 27 34 ATOM 33 C LIG 1 8.345 2.708 0.946 0.00 0.00 +0.277 C ATOM 34 O LIG 1 7.195 2.284 0.229 0.00 0.00 -0.491 OA ENDBRANCH 27 34 BRANCH 28 35 ATOM 35 O LIG 1 5.093 1.561 -1.237 0.00 0.00 -0.503 OA ATOM 36 H LIG 1 4.303 1.082 -1.569 0.00 0.00 +0.292 HD ENDBRANCH 28 35 ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 11