REMARK Name = BDB010528 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.239 0.879 -0.801 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.352 1.793 0.044 0.00 0.00 +0.115 A ATOM 3 C LIG 1 0.723 2.495 0.574 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.616 3.472 1.489 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -0.646 3.704 1.851 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.766 3.101 1.389 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 1.904 2.096 0.032 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.637 2.133 0.451 0.00 0.00 +0.101 A ATOM 9 C LIG 1 1.603 1.115 -0.782 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -0.879 4.751 2.871 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.139 5.027 3.245 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.982 4.595 2.902 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -2.070 5.997 4.165 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.018 6.510 4.737 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -0.750 6.319 4.357 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 0.005 5.471 3.482 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.879 1.571 -0.059 0.00 0.00 +0.003 A ATOM 18 C LIG 1 -3.361 1.924 -1.331 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -4.556 1.388 -1.816 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -5.292 0.502 -1.032 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.841 0.160 0.240 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -3.647 0.698 0.726 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 9 23 ATOM 23 N LIG 1 2.462 0.417 -1.583 0.00 0.00 -0.289 N ATOM 24 C LIG 1 3.705 -0.121 -0.920 0.00 0.00 +0.132 C ATOM 25 C LIG 1 4.860 0.905 -1.026 0.00 0.00 +0.187 C ATOM 26 O LIG 1 5.262 1.147 -2.393 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 4.217 0.886 -3.341 0.00 0.00 +0.179 C ATOM 28 C LIG 1 2.816 1.213 -2.804 0.00 0.00 +0.136 C BRANCH 24 29 ATOM 29 C LIG 1 3.488 -0.726 0.463 0.00 0.00 -0.025 A ATOM 30 C LIG 1 3.589 0.033 1.639 0.00 0.00 +0.005 A ATOM 31 C LIG 1 3.390 -0.554 2.891 0.00 0.00 +0.000 A ATOM 32 C LIG 1 3.095 -1.911 2.989 0.00 0.00 +0.000 A ATOM 33 C LIG 1 2.994 -2.683 1.835 0.00 0.00 +0.000 A ATOM 34 C LIG 1 3.187 -2.095 0.583 0.00 0.00 +0.005 A ENDBRANCH 24 29 ENDBRANCH 9 23 BRANCH 1 35 ATOM 35 C LIG 1 -0.404 -0.158 -1.587 0.00 0.00 +0.128 C BRANCH 35 40 ATOM 36 C LIG 1 -2.080 -5.250 -0.212 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -2.128 -3.726 -0.091 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -2.239 -3.053 -1.472 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.880 -2.614 -2.009 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -0.183 -1.597 -1.081 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -0.613 -1.765 0.389 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -0.919 -3.221 0.715 0.00 0.00 +0.003 C ENDBRANCH 35 40 ENDBRANCH 1 35 TORSDOF 6