REMARK Name = BDB010467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.523 -0.946 -1.212 0.00 0.00 +0.150 A ATOM 2 C LIG 1 -0.153 -1.138 -1.070 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.317 -2.396 -0.740 0.00 0.00 +0.186 A ATOM 4 N LIG 1 1.679 -2.436 -0.699 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 2.075 -1.228 -1.024 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.466 -3.460 -0.519 0.00 0.00 -0.193 NA ATOM 7 C LIG 1 -1.762 -3.221 -0.668 0.00 0.00 +0.220 A ATOM 8 N LIG 1 0.992 -0.379 -1.177 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.299 -2.036 -1.001 0.00 0.00 -0.197 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 3.366 -0.814 -1.212 0.00 0.00 -0.289 N ATOM 11 C LIG 1 4.384 -1.578 -0.410 0.00 0.00 +0.132 C ATOM 12 C LIG 1 5.779 -1.518 -1.092 0.00 0.00 +0.187 C ATOM 13 O LIG 1 5.799 -2.091 -2.412 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 4.547 -1.945 -3.098 0.00 0.00 +0.179 C ATOM 15 C LIG 1 3.757 -0.709 -2.645 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 4.421 -1.054 1.020 0.00 0.00 -0.025 A ATOM 17 C LIG 1 3.762 -1.773 2.032 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.771 -1.323 3.353 0.00 0.00 +0.000 A ATOM 19 C LIG 1 4.434 -0.144 3.684 0.00 0.00 +0.000 A ATOM 20 C LIG 1 5.079 0.590 2.691 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.066 0.144 1.367 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.105 0.259 -1.584 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.543 1.075 -1.407 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -4.017 1.559 -2.275 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -3.535 0.452 -1.335 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -3.794 0.766 0.150 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -3.353 2.126 0.753 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -4.821 2.584 0.715 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -5.239 1.109 0.598 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 N LIG 1 -2.576 -4.327 -0.451 0.00 0.00 -0.298 N ATOM 31 H LIG 1 -2.005 -4.936 0.129 0.00 0.00 +0.150 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.950 -4.116 0.046 0.00 0.00 +0.126 C ATOM 33 C LIG 1 -4.435 -5.467 0.608 0.00 0.00 +0.043 C ATOM 34 C LIG 1 -4.875 -3.729 -1.118 0.00 0.00 +0.043 C BRANCH 32 35 ATOM 35 C LIG 1 -4.004 -3.122 1.226 0.00 0.00 +0.328 C ATOM 36 O LIG 1 -3.165 -2.996 2.109 0.00 0.00 -0.249 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.146 -2.405 1.303 0.00 0.00 -0.479 OA ATOM 38 H LIG 1 -5.007 -1.854 2.102 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 39 ATOM 39 C LIG 1 1.065 1.048 -1.433 0.00 0.00 +0.128 C BRANCH 39 40 ATOM 40 C LIG 1 0.658 1.938 -0.238 0.00 0.00 +0.009 C ATOM 41 C LIG 1 0.373 3.365 -0.749 0.00 0.00 +0.005 C ATOM 42 C LIG 1 0.509 4.396 0.363 0.00 0.00 +0.003 C ATOM 43 C LIG 1 1.954 4.460 0.887 0.00 0.00 -0.014 C ATOM 44 C LIG 1 1.975 5.023 2.309 0.00 0.00 +0.007 C ATOM 45 C LIG 1 2.670 3.099 0.809 0.00 0.00 +0.003 C ATOM 46 C LIG 1 1.694 1.931 0.903 0.00 0.00 +0.005 C ENDBRANCH 39 40 ENDBRANCH 8 39 TORSDOF 11