REMARK Name = BDB038477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.566 -1.145 0.132 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.612 -1.367 -0.579 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.816 -1.755 -1.714 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.717 -1.038 0.333 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.078 -1.094 0.095 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.945 -0.721 1.131 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.409 -0.301 2.372 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.018 -0.254 2.602 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.185 -0.627 1.552 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.309 -0.667 1.480 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.264 -1.136 -0.148 0.00 0.00 -0.012 A ATOM 12 C LIG 1 -2.979 -1.063 0.400 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -1.865 -1.304 -0.392 0.00 0.00 +0.129 A ATOM 14 N LIG 1 -2.008 -1.667 -1.681 0.00 0.00 -0.236 NA ATOM 15 C LIG 1 -3.235 -1.794 -2.240 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -4.375 -1.523 -1.487 0.00 0.00 +0.032 A BRANCH 11 18 ATOM 17 C LIG 1 -5.587 0.437 1.349 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -5.460 -0.790 0.650 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -6.520 -1.714 0.741 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -7.660 -1.442 1.500 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.764 -0.241 2.194 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -6.731 0.691 2.123 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 -4.875 2.323 -1.038 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -4.230 2.263 0.246 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -4.547 1.464 1.316 0.00 0.00 +0.164 A ATOM 26 N LIG 1 -3.719 1.755 2.304 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -2.839 2.716 1.867 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -3.160 3.012 0.630 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 BRANCH 15 29 ATOM 29 C LIG 1 -3.272 -2.218 -3.695 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -4.366 -3.103 -4.244 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -4.287 -1.662 -4.665 0.00 0.00 +0.010 C ENDBRANCH 15 29 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 1.464 0.220 3.919 0.00 0.00 +0.418 C ATOM 33 F LIG 1 0.395 -0.515 4.333 0.00 0.00 -0.166 F ATOM 34 F LIG 1 1.038 1.510 3.865 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.369 0.164 4.935 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.445 -0.755 0.913 0.00 0.00 +0.119 C BRANCH 36 37 ATOM 37 N LIG 1 5.894 0.245 -0.054 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 7.312 0.067 -0.400 0.00 0.00 +0.091 C ATOM 39 C LIG 1 7.688 1.431 -0.930 0.00 0.00 -0.015 C ATOM 40 C LIG 1 9.137 1.871 -0.945 0.00 0.00 +0.009 C ATOM 41 C LIG 1 8.437 1.571 -2.238 0.00 0.00 +0.009 C ATOM 42 C LIG 1 6.598 2.404 -0.584 0.00 0.00 +0.023 C ATOM 43 C LIG 1 5.766 1.627 0.428 0.00 0.00 +0.085 C ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 7