REMARK Name = BDB010389 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.017 0.347 0.252 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.007 1.299 0.117 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -1.257 2.615 0.489 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.187 3.426 0.270 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 0.728 2.648 -0.255 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -2.419 3.058 0.993 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.332 2.084 1.081 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.289 1.338 -0.347 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -3.193 0.791 0.740 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.643 2.498 1.627 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.835 3.783 1.969 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.171 4.536 1.898 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.089 3.881 2.429 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.627 4.898 2.836 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.672 2.639 2.368 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.681 1.752 1.833 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 1.969 2.993 -0.687 0.00 0.00 -0.295 N ATOM 18 C LIG 1 2.109 4.077 -1.646 0.00 0.00 +0.144 C ATOM 19 C LIG 1 3.471 4.401 -0.999 0.00 0.00 +0.095 C ATOM 20 C LIG 1 3.751 5.880 -0.792 0.00 0.00 +0.044 C ATOM 21 C LIG 1 2.873 3.680 0.225 0.00 0.00 +0.144 C BRANCH 19 22 ATOM 22 O LIG 1 4.639 3.774 -1.595 0.00 0.00 -0.386 OA ATOM 23 H LIG 1 4.685 4.131 -2.498 0.00 0.00 +0.210 HD ENDBRANCH 19 22 ENDBRANCH 5 17 BRANCH 1 24 ATOM 24 N LIG 1 -1.880 -0.987 -0.104 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -0.950 -1.346 0.049 0.00 0.00 +0.148 HD BRANCH 24 27 ATOM 26 C LIG 1 -2.708 -2.374 1.736 0.00 0.00 +0.028 C ATOM 27 C LIG 1 -2.939 -1.926 0.292 0.00 0.00 +0.072 C BRANCH 27 28 ATOM 28 C LIG 1 -2.950 -3.096 -0.703 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -1.825 -4.171 -0.717 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -2.899 -5.179 -1.178 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -3.945 -4.274 -0.494 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 8 32 ATOM 32 C LIG 1 1.089 0.265 -0.924 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 2.213 -0.231 0.018 0.00 0.00 +0.009 C ATOM 34 C LIG 1 3.426 -0.738 -0.781 0.00 0.00 +0.005 C ATOM 35 C LIG 1 3.188 -2.098 -1.432 0.00 0.00 +0.003 C ATOM 36 C LIG 1 2.742 -3.167 -0.426 0.00 0.00 -0.014 C ATOM 37 C LIG 1 3.889 -3.606 0.488 0.00 0.00 +0.007 C ATOM 38 C LIG 1 1.532 -2.678 0.378 0.00 0.00 +0.003 C ATOM 39 C LIG 1 1.736 -1.301 1.013 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 8