REMARK Name = BDB056796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.875 0.161 0.050 0.00 0.00 +0.096 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.644 0.420 -0.273 0.00 0.00 +0.043 C ATOM 3 C LIG 1 1.537 -0.731 0.252 0.00 0.00 +0.114 C ATOM 4 N LIG 1 2.944 -0.452 -0.045 0.00 0.00 -0.301 N ATOM 5 C LIG 1 3.727 0.130 0.950 0.00 0.00 +0.216 C ATOM 6 O LIG 1 3.298 0.341 2.085 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 3.238 -0.373 -1.471 0.00 0.00 +0.108 C ATOM 8 C LIG 1 2.433 0.769 -2.083 0.00 0.00 +0.019 C ATOM 9 C LIG 1 0.935 0.614 -1.788 0.00 0.00 +0.010 C BRANCH 5 10 ATOM 10 C LIG 1 5.153 0.495 0.567 0.00 0.00 +0.097 C BRANCH 10 11 ATOM 11 C LIG 1 5.965 0.989 1.765 0.00 0.00 +0.024 C BRANCH 11 12 ATOM 12 C LIG 1 7.448 1.214 1.454 0.00 0.00 +0.081 C BRANCH 12 13 ATOM 13 N LIG 1 7.698 2.294 0.501 0.00 0.00 -0.319 NA ATOM 14 H LIG 1 6.908 2.936 0.465 0.00 0.00 +0.122 HD ATOM 15 C LIG 1 8.037 1.814 -0.828 0.00 0.00 +0.101 C ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 5 10 ENDBRANCH 1 2 BRANCH 1 17 ATOM 16 C LIG 1 -1.645 -1.136 2.222 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -1.089 0.004 1.579 0.00 0.00 -0.005 A ATOM 18 C LIG 1 -0.702 1.098 2.401 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -0.841 1.078 3.789 0.00 0.00 +0.003 A ATOM 20 C LIG 1 -1.380 -0.037 4.405 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -1.774 -1.120 3.629 0.00 0.00 +0.131 A ATOM 22 F LIG 1 -2.299 -2.180 4.266 0.00 0.00 -0.205 F BRANCH 16 25 ATOM 23 C LIG 1 -3.903 -3.643 0.487 0.00 0.00 -0.047 A ATOM 24 C LIG 1 -3.445 -2.480 1.125 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -2.106 -2.350 1.530 0.00 0.00 -0.015 A ATOM 26 C LIG 1 -1.231 -3.424 1.307 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -1.677 -4.588 0.679 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -3.007 -4.697 0.272 0.00 0.00 +0.003 A BRANCH 23 30 ATOM 29 C LIG 1 -6.209 -4.326 1.196 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -5.346 -3.769 0.074 0.00 0.00 +0.032 C ENDBRANCH 23 30 ENDBRANCH 16 25 ENDBRANCH 1 17 BRANCH 1 31 ATOM 31 O LIG 1 -1.236 -1.018 -0.669 0.00 0.00 -0.384 OA ATOM 32 H LIG 1 -1.507 -0.777 -1.569 0.00 0.00 +0.211 HD ENDBRANCH 1 31 BRANCH 1 33 ATOM 33 C LIG 1 -1.773 1.321 -0.482 0.00 0.00 +0.041 C BRANCH 33 34 ATOM 34 C LIG 1 -3.279 1.123 -0.232 0.00 0.00 +0.022 C BRANCH 34 35 ATOM 35 C LIG 1 -4.122 2.287 -0.756 0.00 0.00 +0.107 C BRANCH 35 36 ATOM 36 N LIG 1 -4.178 2.326 -2.199 0.00 0.00 -0.281 N ATOM 37 H LIG 1 -4.845 1.756 -2.699 0.00 0.00 +0.152 HD ATOM 38 C LIG 1 -3.382 3.123 -2.962 0.00 0.00 +0.400 C ATOM 39 O LIG 1 -2.515 3.874 -2.543 0.00 0.00 -0.226 OA BRANCH 38 40 ATOM 40 O LIG 1 -3.698 2.938 -4.267 0.00 0.00 -0.454 OA ATOM 41 C LIG 1 -2.925 3.732 -5.167 0.00 0.00 +0.282 C ENDBRANCH 38 40 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 14