REMARK Name = BDB010464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.624 -0.008 0.786 0.00 0.00 +0.150 A ATOM 2 C LIG 1 0.624 -0.359 -0.105 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.942 -1.135 -1.200 0.00 0.00 +0.186 A ATOM 4 N LIG 1 -0.145 -1.396 -1.975 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.161 -0.864 -1.331 0.00 0.00 +0.201 A ATOM 6 N LIG 1 2.184 -1.560 -1.494 0.00 0.00 -0.193 NA ATOM 7 C LIG 1 3.103 -1.190 -0.596 0.00 0.00 +0.222 A ATOM 8 N LIG 1 -0.727 -0.137 -0.235 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.863 -0.462 0.506 0.00 0.00 -0.197 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.472 -0.928 -1.699 0.00 0.00 -0.289 N ATOM 11 C LIG 1 -3.422 -1.774 -0.904 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -4.447 -2.506 -1.820 0.00 0.00 +0.187 C ATOM 13 O LIG 1 -3.871 -3.210 -2.929 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 -2.849 -2.469 -3.615 0.00 0.00 +0.179 C ATOM 15 C LIG 1 -2.702 -1.014 -3.157 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 -2.786 -2.743 0.093 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -1.961 -3.802 -0.316 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -1.390 -4.669 0.618 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -1.641 -4.499 1.976 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -2.467 -3.462 2.402 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.038 -2.594 1.469 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 N LIG 1 4.410 -1.627 -0.773 0.00 0.00 -0.286 N ATOM 23 C LIG 1 5.038 -1.468 -2.112 0.00 0.00 +0.185 C ATOM 24 C LIG 1 5.047 -2.872 -2.709 0.00 0.00 +0.035 C ATOM 25 C LIG 1 5.333 -3.719 -1.481 0.00 0.00 +0.021 C ATOM 26 C LIG 1 4.493 -3.052 -0.392 0.00 0.00 +0.109 C BRANCH 23 27 ATOM 27 C LIG 1 4.536 -0.382 -3.067 0.00 0.00 +0.325 C ATOM 28 O LIG 1 5.226 0.574 -3.406 0.00 0.00 -0.249 OA BRANCH 27 29 ATOM 29 O LIG 1 3.300 -0.558 -3.581 0.00 0.00 -0.479 OA ATOM 30 H LIG 1 2.779 -1.240 -3.094 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 23 27 ENDBRANCH 7 22 BRANCH 1 31 ATOM 31 N LIG 1 1.388 0.816 1.894 0.00 0.00 -0.324 N ATOM 32 H LIG 1 1.348 1.755 1.507 0.00 0.00 +0.148 HD BRANCH 31 34 ATOM 33 C LIG 1 2.334 -0.550 3.715 0.00 0.00 +0.028 C ATOM 34 C LIG 1 2.411 0.779 2.951 0.00 0.00 +0.072 C BRANCH 34 35 ATOM 35 C LIG 1 2.218 1.928 3.966 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.195 3.384 3.430 0.00 0.00 +0.005 C ATOM 37 C LIG 1 0.669 3.401 3.625 0.00 0.00 +0.001 C ATOM 38 C LIG 1 0.813 2.196 4.570 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 1 31 BRANCH 8 39 ATOM 39 C LIG 1 -1.545 0.744 0.576 0.00 0.00 +0.128 C BRANCH 39 40 ATOM 40 C LIG 1 -1.991 2.033 -0.142 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -0.801 2.896 -0.605 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -1.080 4.401 -0.589 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -2.529 4.761 -0.927 0.00 0.00 -0.014 C ATOM 44 C LIG 1 -2.847 4.480 -2.399 0.00 0.00 +0.007 C ATOM 45 C LIG 1 -3.521 4.052 0.013 0.00 0.00 +0.003 C ATOM 46 C LIG 1 -2.938 2.842 0.749 0.00 0.00 +0.005 C ENDBRANCH 39 40 ENDBRANCH 8 39 TORSDOF 10