REMARK Name = BDB065070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.349 1.508 -0.043 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -1.736 0.805 -1.013 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -1.194 1.502 -2.031 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -1.286 2.883 -2.115 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -0.705 3.611 -3.231 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.065 2.928 -4.185 0.00 0.00 +0.071 A ATOM 7 C LIG 1 0.072 1.450 -4.132 0.00 0.00 +0.253 A ATOM 8 O LIG 1 0.685 0.894 -5.040 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -1.957 3.503 -1.082 0.00 0.00 +0.124 A ATOM 10 N LIG 1 -0.507 0.800 -3.057 0.00 0.00 -0.288 N ATOM 11 N LIG 1 -2.497 2.844 -0.039 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -2.420 0.850 2.354 0.00 0.00 +0.229 A ATOM 13 C LIG 1 -2.915 0.757 1.061 0.00 0.00 +0.102 A ATOM 14 C LIG 1 -3.985 -0.122 0.893 0.00 0.00 +0.062 A ATOM 15 N LIG 1 -4.487 -0.835 1.936 0.00 0.00 -0.239 NA ATOM 16 C LIG 1 -3.925 -0.655 3.136 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -2.902 0.156 3.405 0.00 0.00 -0.201 NA BRANCH 14 18 ATOM 18 C LIG 1 -4.641 -0.343 -0.460 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -6.144 -0.477 -0.564 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -5.472 0.755 -1.087 0.00 0.00 +0.010 C ENDBRANCH 14 18 BRANCH 12 22 ATOM 21 C LIG 1 -0.985 1.834 3.936 0.00 0.00 +0.279 C ATOM 22 O LIG 1 -1.323 1.670 2.563 0.00 0.00 -0.479 OA ENDBRANCH 12 22 ENDBRANCH 1 13 BRANCH 10 23 ATOM 23 C LIG 1 -0.361 -0.647 -2.938 0.00 0.00 +0.162 C BRANCH 23 24 ATOM 24 C LIG 1 0.768 -1.047 -2.011 0.00 0.00 -0.028 A ATOM 25 C LIG 1 0.496 -1.532 -0.724 0.00 0.00 +0.006 A ATOM 26 C LIG 1 1.537 -1.874 0.143 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.871 -1.730 -0.256 0.00 0.00 +0.017 A ATOM 28 C LIG 1 3.143 -1.275 -1.551 0.00 0.00 +0.012 A ATOM 29 C LIG 1 2.103 -0.930 -2.419 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 3.981 -2.065 0.638 0.00 0.00 +0.141 A ATOM 31 N LIG 1 4.141 -1.603 1.927 0.00 0.00 -0.333 N ATOM 32 C LIG 1 3.302 -0.654 2.621 0.00 0.00 +0.150 C ATOM 33 C LIG 1 5.290 -2.143 2.438 0.00 0.00 +0.119 A ATOM 34 C LIG 1 5.835 -2.904 1.420 0.00 0.00 +0.162 A ATOM 35 N LIG 1 5.009 -2.827 0.308 0.00 0.00 -0.224 NA BRANCH 34 36 ATOM 36 C LIG 1 7.101 -3.711 1.435 0.00 0.00 +0.436 C ATOM 37 F LIG 1 6.904 -4.952 1.956 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.061 -3.122 2.203 0.00 0.00 -0.164 F ATOM 39 F LIG 1 7.646 -3.880 0.202 0.00 0.00 -0.164 F ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 10 23 TORSDOF 7