REMARK Name = BDB010397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.252 -1.310 1.886 0.00 0.00 +0.198 A ATOM 2 N LIG 1 -0.537 -0.711 0.869 0.00 0.00 -0.308 N ATOM 3 C LIG 1 0.634 -0.234 1.418 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.483 -0.474 2.775 0.00 0.00 +0.185 A ATOM 5 N LIG 1 1.372 -0.111 3.712 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.425 0.529 3.183 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.664 0.799 1.886 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.778 0.407 0.950 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.677 -1.135 3.048 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 3.447 0.971 4.158 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.252 0.738 5.466 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.462 0.280 5.892 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.315 1.230 6.113 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.497 1.204 7.319 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.173 1.773 5.188 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.561 1.580 3.907 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 -2.435 -1.940 1.692 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -2.952 -1.939 2.576 0.00 0.00 +0.149 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.325 -3.362 1.303 0.00 0.00 +0.165 C BRANCH 19 22 ATOM 20 C LIG 1 -4.986 -2.491 -0.429 0.00 0.00 +0.071 C ATOM 21 C LIG 1 -4.750 -3.711 0.369 0.00 0.00 +0.106 A ATOM 22 C LIG 1 -3.617 -4.086 1.116 0.00 0.00 +0.124 A ATOM 23 N LIG 1 -3.836 -5.274 1.685 0.00 0.00 -0.052 NA ATOM 24 O LIG 1 -5.120 -5.633 1.288 0.00 0.00 -0.242 OA ATOM 25 N LIG 1 -5.681 -4.661 0.468 0.00 0.00 -0.054 NA ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 8 26 ATOM 26 N LIG 1 2.018 0.654 -0.395 0.00 0.00 -0.324 N ATOM 27 H LIG 1 1.693 -0.084 -1.004 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 3.326 1.195 -0.783 0.00 0.00 +0.072 C ATOM 29 C LIG 1 3.140 1.898 -2.129 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 4.383 0.085 -0.831 0.00 0.00 +0.009 C ATOM 31 C LIG 1 5.790 0.360 -1.436 0.00 0.00 +0.005 C ATOM 32 C LIG 1 5.813 -1.125 -1.860 0.00 0.00 +0.001 C ATOM 33 C LIG 1 4.270 -1.075 -1.862 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 -0.978 -0.554 -0.506 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.348 0.894 -0.891 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -2.683 1.355 -0.268 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -3.853 1.236 -1.240 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -3.645 2.080 -2.511 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -4.307 3.454 -2.385 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -2.159 2.237 -2.876 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.347 1.030 -2.426 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9