REMARK Name = BDB016688 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.743 1.129 -1.293 0.00 0.00 +0.093 A ATOM 2 C LIG 1 0.717 1.138 -0.297 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -0.417 1.592 -0.959 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.664 1.741 -0.339 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -1.789 1.408 1.022 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -0.640 0.982 1.708 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -0.013 1.835 -2.241 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -0.575 2.183 -3.009 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 0.605 0.842 1.075 0.00 0.00 +0.012 A ATOM 10 N LIG 1 1.284 1.583 -2.469 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -3.118 1.553 1.727 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -4.331 0.730 1.341 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -4.387 -0.303 0.251 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -5.648 -0.209 -0.361 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -6.048 -1.013 -1.408 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -5.137 -1.966 -1.864 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -3.871 -2.091 -1.265 0.00 0.00 +0.000 A ATOM 18 N LIG 1 -6.396 0.792 0.262 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -7.341 1.052 0.026 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -3.493 -1.262 -0.201 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -5.691 1.388 1.292 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -6.070 2.280 2.033 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -3.635 0.463 2.645 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 25 ATOM 24 C LIG 1 3.593 -0.203 -0.313 0.00 0.00 +0.010 C ATOM 25 C LIG 1 3.114 0.737 -1.144 0.00 0.00 +0.031 C BRANCH 24 29 ATOM 26 C LIG 1 7.708 -1.347 0.011 0.00 0.00 +0.052 A ATOM 27 C LIG 1 6.904 -1.237 1.150 0.00 0.00 +0.019 A ATOM 28 C LIG 1 5.564 -0.857 1.029 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.013 -0.571 -0.227 0.00 0.00 -0.025 A ATOM 30 C LIG 1 5.821 -0.699 -1.365 0.00 0.00 +0.009 A ATOM 31 C LIG 1 7.162 -1.079 -1.247 0.00 0.00 +0.019 A BRANCH 26 33 ATOM 32 N LIG 1 10.193 -2.056 0.234 0.00 0.00 -0.191 NA ATOM 33 C LIG 1 9.082 -1.738 0.134 0.00 0.00 +0.099 C ENDBRANCH 26 33 ENDBRANCH 24 29 ENDBRANCH 1 25 TORSDOF 4