REMARK Name = BDB010348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.325 -1.647 -0.339 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.975 -1.331 -0.233 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.045 -2.027 -0.989 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.227 -1.612 -0.736 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.118 -0.673 0.172 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.352 -2.992 -1.868 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.670 -3.208 -1.950 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.214 -0.394 0.433 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.646 -2.594 -1.242 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.121 0.063 0.724 0.00 0.00 -0.298 N ATOM 11 C LIG 1 3.290 0.343 -0.153 0.00 0.00 +0.080 C ATOM 12 C LIG 1 3.987 1.601 0.409 0.00 0.00 +0.023 C ATOM 13 C LIG 1 4.350 1.463 1.889 0.00 0.00 +0.003 C ATOM 14 C LIG 1 3.144 1.023 2.718 0.00 0.00 +0.019 C ATOM 15 C LIG 1 2.466 -0.211 2.125 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 4.252 -0.865 -0.294 0.00 0.00 +0.057 C BRANCH 16 17 ATOM 17 C LIG 1 5.180 -0.743 -1.483 0.00 0.00 -0.045 A ATOM 18 C LIG 1 6.518 -0.356 -1.317 0.00 0.00 +0.006 A ATOM 19 C LIG 1 7.358 -0.238 -2.425 0.00 0.00 +0.038 A ATOM 20 C LIG 1 6.861 -0.508 -3.695 0.00 0.00 +0.123 A ATOM 21 F LIG 1 7.671 -0.393 -4.756 0.00 0.00 -0.205 F ATOM 22 C LIG 1 5.540 -0.895 -3.880 0.00 0.00 +0.038 A ATOM 23 C LIG 1 4.698 -1.013 -2.774 0.00 0.00 +0.006 A ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 24 ATOM 24 N LIG 1 -3.313 -1.047 0.433 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -3.010 -0.901 1.389 0.00 0.00 +0.148 HD BRANCH 24 27 ATOM 26 C LIG 1 -5.624 -0.450 0.778 0.00 0.00 +0.028 C ATOM 27 C LIG 1 -4.681 -1.572 0.338 0.00 0.00 +0.072 C BRANCH 27 28 ATOM 28 C LIG 1 -4.839 -2.847 1.177 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -4.700 -2.800 2.727 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.712 -3.966 2.774 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -6.247 -3.465 1.415 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 7 32 ATOM 32 C LIG 1 -2.100 -4.266 -2.932 0.00 0.00 +0.375 C ATOM 33 O LIG 1 -1.381 -4.921 -3.670 0.00 0.00 -0.242 OA BRANCH 32 34 ATOM 34 O LIG 1 -3.439 -4.472 -2.952 0.00 0.00 -0.475 OA ATOM 35 H LIG 1 -3.555 -5.169 -3.629 0.00 0.00 +0.296 HD ENDBRANCH 32 34 ENDBRANCH 7 32 BRANCH 8 36 ATOM 36 C LIG 1 -0.687 0.792 1.128 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 -0.496 2.099 0.333 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -0.806 3.316 1.209 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -0.470 4.628 0.493 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.799 4.631 -1.012 0.00 0.00 -0.014 C ATOM 41 C LIG 1 0.468 4.544 -1.868 0.00 0.00 +0.007 C ATOM 42 C LIG 1 -1.796 3.525 -1.372 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -1.340 2.124 -0.956 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 10