REMARK Name = BDB010295 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.884 -1.741 1.696 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.731 -0.967 1.802 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.072 -0.872 3.018 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.071 -0.141 2.924 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.128 0.253 1.674 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.487 -1.451 4.156 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.632 -2.135 3.976 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.014 -0.162 0.967 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.329 -2.304 2.836 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.131 0.964 1.081 0.00 0.00 -0.298 N ATOM 11 C LIG 1 3.444 0.266 1.070 0.00 0.00 +0.079 C ATOM 12 C LIG 1 4.194 0.454 2.412 0.00 0.00 +0.023 C ATOM 13 C LIG 1 3.854 1.736 3.170 0.00 0.00 +0.003 C ATOM 14 C LIG 1 3.388 2.828 2.230 0.00 0.00 +0.019 C ATOM 15 C LIG 1 2.156 2.398 1.441 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 4.290 0.665 -0.183 0.00 0.00 +0.010 C ATOM 17 C LIG 1 5.534 -0.246 -0.363 0.00 0.00 +0.005 C ATOM 18 C LIG 1 5.362 -1.283 -1.468 0.00 0.00 +0.000 C ATOM 19 C LIG 1 5.103 -0.634 -2.825 0.00 0.00 +0.000 C ATOM 20 C LIG 1 4.301 0.662 -2.726 0.00 0.00 +0.000 C ATOM 21 C LIG 1 3.436 0.694 -1.472 0.00 0.00 +0.005 C ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.562 -1.945 0.503 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.956 -1.986 -0.306 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -3.079 -4.340 0.370 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -3.653 -2.926 0.472 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -4.575 -2.573 -0.704 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.127 -2.798 -2.178 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.613 -3.051 -2.510 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -5.798 -3.476 -1.037 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -2.159 -2.799 5.220 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -3.166 -3.482 5.300 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -1.349 -2.543 6.288 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -0.592 -1.977 6.006 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 -0.283 0.175 -0.413 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.524 1.070 -0.624 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -1.860 1.110 -2.130 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -2.592 2.389 -2.516 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.712 3.628 -2.276 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -2.586 4.878 -2.159 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.791 3.469 -1.051 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.360 2.485 -0.035 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9