REMARK Name = BDB047667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.881 0.112 -0.320 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.929 0.238 0.645 0.00 0.00 -0.492 OA BRANCH 2 12 ATOM 3 C LIG 1 -4.213 -0.178 1.087 0.00 0.00 +0.018 A ATOM 4 C LIG 1 -5.324 -1.041 0.945 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -5.258 -2.277 0.297 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -6.559 -2.856 0.357 0.00 0.00 +0.077 A ATOM 7 C LIG 1 -7.384 -1.971 1.018 0.00 0.00 +0.102 A ATOM 8 C LIG 1 -4.026 -2.691 -0.242 0.00 0.00 +0.015 A ATOM 9 C LIG 1 -2.908 -1.857 -0.128 0.00 0.00 +0.046 A ATOM 10 N LIG 1 -6.628 -0.887 1.374 0.00 0.00 -0.359 N ATOM 11 H LIG 1 -6.969 -0.079 1.879 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 -2.998 -0.616 0.508 0.00 0.00 +0.126 A BRANCH 6 13 ATOM 13 C LIG 1 -6.961 -4.125 -0.163 0.00 0.00 +0.101 C ATOM 14 N LIG 1 -7.282 -5.161 -0.580 0.00 0.00 -0.191 NA ENDBRANCH 6 13 BRANCH 3 15 ATOM 15 C LIG 1 -4.314 1.153 1.799 0.00 0.00 +0.040 C BRANCH 15 17 ATOM 16 C LIG 1 -4.013 2.734 -0.186 0.00 0.00 +0.004 C ATOM 17 C LIG 1 -4.925 2.267 0.940 0.00 0.00 +0.001 C ENDBRANCH 15 17 ENDBRANCH 3 15 ENDBRANCH 2 12 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 0.026 1.335 -0.212 0.00 0.00 +0.082 C BRANCH 18 19 ATOM 19 C LIG 1 0.821 1.356 1.094 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 1.676 0.217 1.215 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 2.868 0.200 0.543 0.00 0.00 +0.121 A ATOM 22 C LIG 1 3.546 -1.024 0.612 0.00 0.00 +0.055 A ATOM 23 C LIG 1 4.783 -1.190 -0.042 0.00 0.00 +0.003 A ATOM 24 C LIG 1 5.695 -2.275 -0.162 0.00 0.00 +0.028 A ATOM 25 C LIG 1 6.750 -1.852 -0.937 0.00 0.00 +0.087 A ATOM 26 N LIG 1 6.519 -0.546 -1.286 0.00 0.00 -0.336 N ATOM 27 C LIG 1 5.318 -0.115 -0.754 0.00 0.00 +0.050 A ATOM 28 C LIG 1 4.658 1.121 -0.830 0.00 0.00 +0.030 A ATOM 29 C LIG 1 3.429 1.259 -0.168 0.00 0.00 +0.048 A BRANCH 26 30 ATOM 30 C LIG 1 7.391 0.244 -2.141 0.00 0.00 +0.242 C BRANCH 30 31 ATOM 31 C LIG 1 8.300 1.150 -1.356 0.00 0.00 +0.325 C ATOM 32 O LIG 1 8.769 0.965 -0.245 0.00 0.00 -0.249 OA BRANCH 31 33 ATOM 33 O LIG 1 8.644 2.257 -2.053 0.00 0.00 -0.479 OA ATOM 34 H LIG 1 9.243 2.743 -1.444 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 12