REMARK Name = BDB054320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.623 0.828 -0.005 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -0.291 -0.241 -0.004 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -1.158 -0.436 1.072 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -1.110 0.448 2.152 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -0.212 1.514 2.162 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.654 1.704 1.087 0.00 0.00 +0.004 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.582 1.010 -1.157 0.00 0.00 +0.050 C BRANCH 7 10 ATOM 8 N LIG 1 4.738 0.294 -0.966 0.00 0.00 -0.255 N ATOM 9 C LIG 1 3.730 0.132 0.089 0.00 0.00 +0.202 C ATOM 10 C LIG 1 2.688 -0.029 -1.063 0.00 0.00 +0.111 C ATOM 11 C LIG 1 3.877 0.203 -2.009 0.00 0.00 +0.226 C ATOM 12 O LIG 1 4.009 0.301 -3.206 0.00 0.00 -0.275 OA BRANCH 8 16 ATOM 13 C LIG 1 8.764 1.226 -0.665 0.00 0.00 +0.214 A ATOM 14 N LIG 1 8.050 1.099 0.472 0.00 0.00 -0.219 NA ATOM 15 C LIG 1 6.737 0.792 0.329 0.00 0.00 +0.138 A ATOM 16 C LIG 1 6.093 0.606 -0.893 0.00 0.00 +0.056 A ATOM 17 C LIG 1 6.870 0.749 -2.042 0.00 0.00 +0.030 A ATOM 18 C LIG 1 8.225 1.063 -1.930 0.00 0.00 +0.069 A BRANCH 13 20 ATOM 19 C LIG 1 10.590 1.686 0.723 0.00 0.00 +0.279 C ATOM 20 O LIG 1 10.108 1.537 -0.608 0.00 0.00 -0.480 OA ENDBRANCH 13 20 ENDBRANCH 8 16 BRANCH 9 21 ATOM 21 C LIG 1 3.904 -1.115 1.018 0.00 0.00 +0.327 C ATOM 22 O LIG 1 3.842 -2.302 0.723 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 O LIG 1 4.160 -0.785 2.308 0.00 0.00 -0.479 OA ATOM 24 H LIG 1 4.231 -1.651 2.766 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 9 21 ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 3 25 ATOM 25 O LIG 1 -2.083 -1.432 1.203 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 -2.258 -2.372 0.142 0.00 0.00 +0.235 C BRANCH 26 27 ATOM 27 C LIG 1 -3.175 -1.846 -0.965 0.00 0.00 +0.100 C BRANCH 27 28 ATOM 28 C LIG 1 -4.585 -1.661 -0.525 0.00 0.00 +0.086 A ATOM 29 C LIG 1 -5.544 -2.600 -0.207 0.00 0.00 +0.126 A ATOM 30 C LIG 1 -5.591 -4.071 -0.153 0.00 0.00 +0.088 C ATOM 31 O LIG 1 -6.688 -1.935 0.133 0.00 0.00 -0.440 OA ATOM 32 C LIG 1 -6.366 -0.609 -0.006 0.00 0.00 +0.228 A ATOM 33 N LIG 1 -5.127 -0.400 -0.410 0.00 0.00 -0.214 NA BRANCH 32 34 ATOM 34 C LIG 1 -7.414 0.361 0.299 0.00 0.00 +0.037 A ATOM 35 C LIG 1 -8.700 -0.032 0.700 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -9.682 0.920 0.985 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.392 2.279 0.874 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -8.120 2.686 0.478 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -7.138 1.734 0.192 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 11