REMARK Name = BDB019965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.143 -1.014 -0.181 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.318 0.366 -0.015 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.592 0.902 0.229 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.688 0.028 0.302 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.545 -1.352 0.086 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.258 -1.863 -0.141 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.775 2.349 0.400 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.420 3.163 -0.548 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -2.969 2.600 -1.831 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -2.592 4.502 -0.378 0.00 0.00 -0.260 NA ATOM 11 C LIG 1 -2.110 5.060 0.752 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -1.457 4.348 1.739 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -1.290 2.979 1.557 0.00 0.00 +0.012 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 2.284 -0.912 -0.008 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.205 -0.064 0.538 0.00 0.00 +0.150 HD ATOM 16 C LIG 1 1.193 -1.623 -0.432 0.00 0.00 +0.245 C ATOM 17 O LIG 1 1.275 -2.723 -0.969 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 3.650 -1.378 -0.181 0.00 0.00 +0.125 C BRANCH 18 22 ATOM 19 C LIG 1 7.713 -1.676 2.799 0.00 0.00 +0.044 C ATOM 20 C LIG 1 6.463 -0.974 2.360 0.00 0.00 -0.047 A ATOM 21 C LIG 1 5.669 -1.505 1.340 0.00 0.00 +0.028 A ATOM 22 C LIG 1 4.530 -0.810 0.929 0.00 0.00 +0.062 A ATOM 23 N LIG 1 4.159 0.379 1.488 0.00 0.00 -0.258 NA ATOM 24 C LIG 1 4.953 0.878 2.459 0.00 0.00 +0.111 A ATOM 25 C LIG 1 6.100 0.251 2.918 0.00 0.00 +0.023 A ENDBRANCH 18 22 BRANCH 18 26 ATOM 26 C LIG 1 4.097 -1.014 -1.581 0.00 0.00 +0.015 C ATOM 27 C LIG 1 5.452 -0.448 -1.952 0.00 0.00 +0.006 C ATOM 28 C LIG 1 4.231 0.427 -2.023 0.00 0.00 +0.006 C ENDBRANCH 18 26 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -3.729 -2.296 0.136 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -4.941 -1.712 -0.403 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -5.156 -1.382 -1.748 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -4.357 -1.450 -2.750 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -3.448 -1.794 -2.437 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -6.479 -0.933 -1.779 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -7.109 -0.431 -2.974 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -7.031 -0.984 -0.511 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -6.101 -1.466 0.326 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 7