REMARK Name = BDB010365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.364 -1.413 0.254 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.967 -1.394 0.267 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.267 -2.363 0.974 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.082 -2.197 0.873 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.245 -1.144 0.112 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.842 -3.348 1.677 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.172 -3.288 1.635 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.031 -0.588 -0.244 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.947 -2.390 0.978 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -2.912 -4.331 2.381 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.255 -4.328 2.354 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.848 -3.678 1.870 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.665 -5.362 3.098 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.825 -5.678 3.304 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.559 -6.009 3.588 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.420 -5.296 3.090 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -3.124 -0.498 -0.437 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -2.645 -0.031 -1.192 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -5.355 -0.702 0.686 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -4.575 -0.516 -0.613 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -5.102 -1.450 -1.715 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -4.815 -2.975 -1.731 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -3.724 -2.721 -2.785 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -4.407 -1.379 -3.102 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 N LIG 1 2.425 -0.580 -0.265 0.00 0.00 -0.297 N ATOM 26 C LIG 1 2.931 -1.073 -1.554 0.00 0.00 +0.132 C BRANCH 25 27 ATOM 27 C LIG 1 3.467 -0.631 0.805 0.00 0.00 +0.187 C BRANCH 27 28 ATOM 28 C LIG 1 4.649 0.286 0.656 0.00 0.00 +0.189 A ATOM 29 N LIG 1 5.757 -0.050 -0.090 0.00 0.00 -0.194 NA ATOM 30 C LIG 1 6.516 1.015 0.046 0.00 0.00 +0.231 A ATOM 31 O LIG 1 5.945 1.988 0.818 0.00 0.00 -0.338 OA ATOM 32 N LIG 1 4.700 1.502 1.220 0.00 0.00 -0.060 NA BRANCH 30 33 ATOM 33 C LIG 1 7.918 1.161 -0.608 0.00 0.00 +0.078 C ATOM 34 C LIG 1 9.143 1.069 0.268 0.00 0.00 +0.014 C ATOM 35 C LIG 1 8.826 -0.040 -0.696 0.00 0.00 +0.014 C ENDBRANCH 30 33 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 36 ATOM 36 C LIG 1 -0.128 0.664 -0.963 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 -0.580 1.843 -0.077 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -0.977 3.058 -0.942 0.00 0.00 +0.005 C ATOM 39 C LIG 1 0.157 4.068 -1.081 0.00 0.00 +0.003 C ATOM 40 C LIG 1 0.602 4.633 0.281 0.00 0.00 -0.014 C ATOM 41 C LIG 1 -0.074 5.972 0.580 0.00 0.00 +0.007 C ATOM 42 C LIG 1 0.357 3.647 1.436 0.00 0.00 +0.003 C ATOM 43 C LIG 1 0.497 2.203 0.968 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 10