REMARK Name = BDB060456 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.427 0.838 0.122 0.00 0.00 +0.189 C ATOM 2 C LIG 1 -2.719 0.372 -1.302 0.00 0.00 +0.179 C ATOM 3 C LIG 1 -3.711 1.423 -1.778 0.00 0.00 +0.195 C ATOM 4 C LIG 1 -4.426 1.845 -0.487 0.00 0.00 +0.253 C ATOM 5 O LIG 1 -3.673 1.332 0.637 0.00 0.00 -0.345 OA ENDROOT BRANCH 4 6 ATOM 6 N LIG 1 -5.797 1.403 -0.356 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -6.290 0.137 -0.523 0.00 0.00 +0.167 A ATOM 8 C LIG 1 -7.651 0.252 -0.283 0.00 0.00 +0.147 A ATOM 9 C LIG 1 -8.414 -0.923 -0.393 0.00 0.00 +0.147 A ATOM 10 N LIG 1 -7.788 -2.070 -0.740 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 -6.454 -2.035 -0.940 0.00 0.00 +0.225 A ATOM 12 N LIG 1 -7.993 1.556 0.009 0.00 0.00 -0.231 NA ATOM 13 N LIG 1 -5.620 -0.978 -0.860 0.00 0.00 -0.216 NA ATOM 14 C LIG 1 -6.854 2.215 -0.030 0.00 0.00 +0.203 A BRANCH 9 15 ATOM 15 N LIG 1 -9.787 -0.960 -0.185 0.00 0.00 -0.341 N ATOM 16 H LIG 1 -10.225 -1.744 -0.650 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 -10.232 -0.053 -0.262 0.00 0.00 +0.144 HD ENDBRANCH 9 15 ENDBRANCH 4 6 BRANCH 2 18 ATOM 18 O LIG 1 -1.567 0.345 -2.143 0.00 0.00 -0.386 OA ATOM 19 H LIG 1 -1.000 -0.379 -1.815 0.00 0.00 +0.210 HD ENDBRANCH 2 18 BRANCH 3 20 ATOM 20 O LIG 1 -2.990 2.539 -2.333 0.00 0.00 -0.385 OA ATOM 21 H LIG 1 -2.216 2.139 -2.786 0.00 0.00 +0.210 HD ENDBRANCH 3 20 BRANCH 1 22 ATOM 22 C LIG 1 -1.893 -0.284 1.010 0.00 0.00 +0.266 C BRANCH 22 23 ATOM 23 O LIG 1 -0.656 -0.811 0.501 0.00 0.00 -0.462 OA BRANCH 23 24 ATOM 24 C LIG 1 0.469 -0.154 0.907 0.00 0.00 +0.308 C ATOM 25 O LIG 1 0.481 0.853 1.598 0.00 0.00 -0.251 OA BRANCH 24 26 ATOM 26 C LIG 1 1.686 -0.829 0.335 0.00 0.00 +0.132 C BRANCH 26 27 ATOM 27 C LIG 1 2.949 -0.392 1.066 0.00 0.00 +0.132 C BRANCH 27 28 ATOM 28 C LIG 1 4.158 -1.114 0.531 0.00 0.00 +0.308 C ATOM 29 O LIG 1 4.149 -1.875 -0.425 0.00 0.00 -0.251 OA BRANCH 28 30 ATOM 30 O LIG 1 5.249 -0.778 1.272 0.00 0.00 -0.464 OA BRANCH 30 31 ATOM 31 C LIG 1 6.506 -1.369 0.895 0.00 0.00 +0.238 C BRANCH 31 33 ATOM 32 C LIG 1 7.740 0.675 1.732 0.00 0.00 +0.014 C ATOM 33 C LIG 1 7.535 -0.274 0.538 0.00 0.00 -0.003 C ATOM 34 C LIG 1 7.050 0.542 -0.671 0.00 0.00 +0.014 C ATOM 35 C LIG 1 8.875 -0.944 0.191 0.00 0.00 +0.014 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 13