REMARK Name = BDB034246 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.849 -2.169 0.634 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.351 -1.544 0.837 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.339 -1.330 -0.131 0.00 0.00 +0.051 A ATOM 4 C LIG 1 2.501 -0.676 0.250 0.00 0.00 -0.015 A ATOM 5 C LIG 1 3.691 -0.298 -0.566 0.00 0.00 +0.144 C ATOM 6 N LIG 1 4.591 0.279 0.423 0.00 0.00 -0.282 N ATOM 7 C LIG 1 3.981 0.410 1.663 0.00 0.00 +0.248 C ATOM 8 O LIG 1 4.398 0.971 2.657 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.675 -0.250 1.564 0.00 0.00 +0.042 A ATOM 10 C LIG 1 1.725 -0.453 2.543 0.00 0.00 +0.017 A ATOM 11 C LIG 1 0.555 -1.115 2.166 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 C LIG 1 5.799 0.992 0.024 0.00 0.00 +0.163 C ATOM 13 C LIG 1 5.502 2.474 -0.252 0.00 0.00 +0.240 C ATOM 14 O LIG 1 4.423 2.882 -0.682 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 6.563 3.339 -0.107 0.00 0.00 -0.255 N ATOM 16 H LIG 1 6.375 4.309 -0.323 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.867 3.031 0.189 0.00 0.00 +0.219 C ATOM 18 O LIG 1 8.743 3.890 0.149 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 8.175 1.579 0.469 0.00 0.00 +0.098 C ATOM 20 C LIG 1 6.955 0.851 1.013 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 -2.888 -2.188 -0.723 0.00 0.00 +0.097 C ATOM 22 C LIG 1 -1.331 -2.343 -0.704 0.00 0.00 +0.190 C ATOM 23 C LIG 1 -0.935 -3.755 -1.165 0.00 0.00 +0.046 C ATOM 24 C LIG 1 -1.474 -4.070 -2.554 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -2.986 -3.905 -2.609 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -3.423 -2.521 -2.134 0.00 0.00 +0.022 C BRANCH 21 29 ATOM 27 C LIG 1 -3.209 0.844 0.790 0.00 0.00 +0.047 C ATOM 28 C LIG 1 -3.517 -0.645 1.102 0.00 0.00 +0.094 C ATOM 29 N LIG 1 -3.525 -0.908 -0.348 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -2.735 0.311 -0.590 0.00 0.00 +0.094 C BRANCH 27 33 ATOM 31 C LIG 1 -6.670 2.651 0.229 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -5.633 1.708 0.181 0.00 0.00 +0.022 A ATOM 33 C LIG 1 -4.401 1.911 0.838 0.00 0.00 -0.041 A ATOM 34 C LIG 1 -4.268 3.122 1.548 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.293 4.071 1.604 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -6.495 3.835 0.944 0.00 0.00 +0.019 A BRANCH 31 38 ATOM 37 N LIG 1 -8.905 2.200 -1.009 0.00 0.00 -0.191 NA ATOM 38 C LIG 1 -7.904 2.398 -0.456 0.00 0.00 +0.099 C ENDBRANCH 31 38 ENDBRANCH 27 33 ENDBRANCH 21 29 ENDBRANCH 1 22 TORSDOF 6