REMARK Name = BDB010331 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.897 -0.607 -0.194 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.560 -0.770 -0.560 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.203 -1.802 -1.418 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.141 -1.857 -1.627 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.632 -0.854 -0.942 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.070 -2.662 -1.975 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.332 -2.399 -1.617 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.634 -0.124 -0.324 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.773 -1.442 -0.781 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.352 -3.296 -2.205 0.00 0.00 +0.220 A ATOM 11 N LIG 1 2.961 -4.269 -3.046 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.019 -4.476 -3.339 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.065 -4.925 -3.424 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.109 -5.877 -4.185 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.146 -4.345 -2.808 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.631 -3.272 -2.010 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 -2.940 -0.498 -0.820 0.00 0.00 -0.298 N ATOM 18 C LIG 1 -3.815 -1.559 -0.240 0.00 0.00 +0.079 C ATOM 19 C LIG 1 -5.128 -1.445 -1.024 0.00 0.00 +0.024 C ATOM 20 C LIG 1 -4.648 -1.057 -2.405 0.00 0.00 +0.021 C ATOM 21 C LIG 1 -3.558 -0.046 -2.089 0.00 0.00 +0.108 C BRANCH 18 22 ATOM 22 C LIG 1 -4.061 -1.318 1.254 0.00 0.00 +0.010 C ATOM 23 C LIG 1 -4.922 -2.381 1.994 0.00 0.00 +0.005 C ATOM 24 C LIG 1 -3.614 -3.061 2.433 0.00 0.00 +0.001 C ATOM 25 C LIG 1 -2.914 -1.706 2.230 0.00 0.00 +0.005 C ENDBRANCH 18 22 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 N LIG 1 2.326 0.338 0.716 0.00 0.00 -0.324 N ATOM 27 H LIG 1 1.657 0.489 1.458 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 4.750 0.518 0.069 0.00 0.00 +0.028 C ATOM 29 C LIG 1 3.708 0.480 1.186 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 4.140 -0.472 2.315 0.00 0.00 +0.009 C ATOM 31 C LIG 1 3.187 -0.617 3.534 0.00 0.00 +0.005 C ATOM 32 C LIG 1 2.776 -2.000 2.995 0.00 0.00 +0.001 C ATOM 33 C LIG 1 4.085 -2.019 2.187 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 -0.867 1.115 0.397 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.018 2.355 -0.508 0.00 0.00 +0.009 C ATOM 36 C LIG 1 0.264 2.639 -1.316 0.00 0.00 +0.005 C ATOM 37 C LIG 1 0.335 4.098 -1.752 0.00 0.00 +0.003 C ATOM 38 C LIG 1 0.438 5.037 -0.538 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -0.065 6.433 -0.908 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.295 4.483 0.698 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.465 3.581 0.318 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8