REMARK Name = BDB010427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.873 -0.209 -0.872 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.779 -0.117 -0.027 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.102 -1.121 -0.368 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.515 -1.737 -1.450 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.013 -2.788 -2.114 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 1.149 -3.195 -1.610 0.00 0.00 +0.203 A ATOM 7 N LIG 1 1.835 -2.667 -0.570 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.336 -1.592 0.079 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.700 -1.147 -1.768 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -4.973 -1.936 -1.510 0.00 0.00 +0.040 C ATOM 11 C LIG 1 -5.202 -0.482 -1.109 0.00 0.00 +0.140 C ATOM 12 C LIG 1 -4.189 0.198 -0.128 0.00 0.00 +0.135 C ATOM 13 N LIG 1 -2.913 0.661 -0.774 0.00 0.00 -0.289 N ATOM 14 C LIG 1 -3.208 1.392 -2.033 0.00 0.00 +0.136 C ATOM 15 C LIG 1 -4.154 0.613 -2.954 0.00 0.00 +0.179 C ATOM 16 O LIG 1 -5.396 0.325 -2.295 0.00 0.00 -0.373 OA BRANCH 12 17 ATOM 17 C LIG 1 -4.006 -0.465 1.234 0.00 0.00 -0.025 A ATOM 18 C LIG 1 -3.454 -1.746 1.389 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -3.288 -2.312 2.656 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.673 -1.607 3.792 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.222 -0.335 3.664 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.386 0.231 2.397 0.00 0.00 +0.005 A ENDBRANCH 12 17 ENDBRANCH 1 13 BRANCH 6 23 ATOM 23 C LIG 1 1.802 -4.355 -2.256 0.00 0.00 +0.220 A ATOM 24 N LIG 1 2.973 -4.796 -1.767 0.00 0.00 -0.269 N ATOM 25 H LIG 1 3.477 -4.424 -0.980 0.00 0.00 +0.174 HD ATOM 26 C LIG 1 3.343 -5.838 -2.520 0.00 0.00 +0.440 A ATOM 27 O LIG 1 4.359 -6.500 -2.376 0.00 0.00 -0.221 OA ATOM 28 O LIG 1 2.387 -6.038 -3.485 0.00 0.00 -0.295 OA ATOM 29 N LIG 1 1.385 -5.035 -3.274 0.00 0.00 -0.051 NA ENDBRANCH 6 23 BRANCH 8 30 ATOM 30 N LIG 1 2.052 -1.040 1.125 0.00 0.00 -0.324 N ATOM 31 H LIG 1 1.823 -0.084 1.350 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 3.466 -1.368 1.301 0.00 0.00 +0.072 C ATOM 33 C LIG 1 3.738 -1.393 2.810 0.00 0.00 +0.028 C BRANCH 32 34 ATOM 34 C LIG 1 4.363 -0.304 0.644 0.00 0.00 +0.009 C ATOM 35 C LIG 1 4.358 -0.184 -0.909 0.00 0.00 +0.005 C ATOM 36 C LIG 1 5.571 -1.130 -0.932 0.00 0.00 +0.001 C ATOM 37 C LIG 1 5.870 -0.673 0.508 0.00 0.00 +0.005 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 8 30 BRANCH 2 38 ATOM 38 C LIG 1 -0.645 0.875 1.025 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -0.181 2.259 0.530 0.00 0.00 +0.009 C ATOM 40 C LIG 1 1.249 2.268 -0.019 0.00 0.00 +0.005 C ATOM 41 C LIG 1 1.613 3.630 -0.620 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.081 4.835 0.178 0.00 0.00 -0.014 C ATOM 43 C LIG 1 -0.072 5.529 -0.554 0.00 0.00 +0.007 C ATOM 44 C LIG 1 0.682 4.438 1.601 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -0.337 3.298 1.658 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 2 38 TORSDOF 8