REMARK Name = BDB034130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.696 0.867 1.507 0.00 0.00 -0.002 A ATOM 2 C LIG 1 3.327 0.539 2.834 0.00 0.00 +0.124 A ATOM 3 C LIG 1 2.075 0.926 3.327 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.164 1.595 2.508 0.00 0.00 +0.016 A ATOM 5 C LIG 1 1.488 1.854 1.179 0.00 0.00 +0.037 A ATOM 6 C LIG 1 2.753 1.517 0.688 0.00 0.00 +0.020 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 0.519 2.536 0.287 0.00 0.00 +0.247 C ATOM 8 N LIG 1 -0.776 2.026 0.199 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -1.138 0.653 0.566 0.00 0.00 +0.111 C ATOM 10 C LIG 1 -2.224 0.100 -0.347 0.00 0.00 +0.063 C ATOM 11 C LIG 1 -3.493 0.957 -0.270 0.00 0.00 +0.176 C ATOM 12 C LIG 1 -3.185 2.451 -0.087 0.00 0.00 +0.063 C ATOM 13 C LIG 1 -1.773 2.806 -0.529 0.00 0.00 +0.111 C ATOM 14 O LIG 1 0.899 3.530 -0.327 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 O LIG 1 -4.240 0.497 0.872 0.00 0.00 -0.489 OA BRANCH 15 16 ATOM 16 C LIG 1 -5.594 0.562 0.699 0.00 0.00 +0.123 A ATOM 17 C LIG 1 -6.256 -0.303 -0.181 0.00 0.00 +0.071 A ATOM 18 C LIG 1 -7.658 -0.292 -0.304 0.00 0.00 +0.069 A ATOM 19 C LIG 1 -8.347 0.620 0.526 0.00 0.00 +0.145 A ATOM 20 F LIG 1 -9.691 0.650 0.536 0.00 0.00 -0.204 F ATOM 21 C LIG 1 -7.689 1.478 1.410 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -6.305 1.441 1.506 0.00 0.00 +0.048 A BRANCH 18 23 ATOM 23 N LIG 1 -8.352 -1.171 -1.160 0.00 0.00 -0.325 N ATOM 24 C LIG 1 -7.607 -2.278 -1.797 0.00 0.00 +0.120 C ATOM 25 C LIG 1 -8.576 -3.275 -2.472 0.00 0.00 +0.100 C ATOM 26 N LIG 1 -9.482 -2.640 -3.447 0.00 0.00 -0.313 NA ATOM 27 H LIG 1 -10.155 -3.334 -3.770 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 -10.212 -1.548 -2.776 0.00 0.00 +0.100 C ATOM 29 C LIG 1 -9.289 -0.507 -2.101 0.00 0.00 +0.120 C ENDBRANCH 18 23 ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 5 7 BRANCH 1 33 ATOM 30 C LIG 1 5.288 0.558 -2.030 0.00 0.00 -0.006 C ATOM 31 C LIG 1 6.380 1.174 -1.138 0.00 0.00 +0.004 C ATOM 32 C LIG 1 5.798 1.613 0.207 0.00 0.00 +0.008 C ATOM 33 C LIG 1 5.069 0.479 0.956 0.00 0.00 +0.023 C ATOM 34 C LIG 1 4.996 -0.826 0.148 0.00 0.00 +0.008 C ATOM 35 C LIG 1 4.641 -0.662 -1.331 0.00 0.00 +0.004 C BRANCH 30 37 ATOM 36 C LIG 1 4.592 -0.368 -4.315 0.00 0.00 +0.011 C ATOM 37 C LIG 1 5.744 0.274 -3.509 0.00 0.00 -0.035 C ATOM 38 C LIG 1 6.969 -0.657 -3.573 0.00 0.00 +0.011 C ATOM 39 C LIG 1 6.107 1.597 -4.220 0.00 0.00 +0.011 C ENDBRANCH 30 37 ENDBRANCH 1 33 BRANCH 2 40 ATOM 40 O LIG 1 4.260 -0.150 3.564 0.00 0.00 -0.487 OA BRANCH 40 41 ATOM 41 C LIG 1 3.898 -0.692 4.838 0.00 0.00 +0.188 C ATOM 42 C LIG 1 5.183 -1.177 5.536 0.00 0.00 +0.125 C ATOM 43 N LIG 1 4.950 -2.582 5.891 0.00 0.00 -0.312 NA ATOM 44 H LIG 1 5.829 -3.097 5.903 0.00 0.00 +0.122 HD ATOM 45 C LIG 1 4.068 -3.086 4.843 0.00 0.00 +0.084 C ATOM 46 C LIG 1 3.062 -1.963 4.681 0.00 0.00 +0.061 C ENDBRANCH 40 41 ENDBRANCH 2 40 TORSDOF 8