REMARK Name = BDB004069 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.821 5.225 -1.065 0.00 0.00 +0.045 C ATOM 2 C LIG 1 4.527 4.469 -0.913 0.00 0.00 -0.029 A ATOM 3 C LIG 1 4.497 3.065 -0.753 0.00 0.00 +0.038 A ATOM 4 C LIG 1 3.241 2.452 -0.602 0.00 0.00 +0.046 A ATOM 5 C LIG 1 2.031 3.169 -0.649 0.00 0.00 +0.034 A ATOM 6 C LIG 1 2.097 4.553 -0.781 0.00 0.00 +0.023 A ATOM 7 C LIG 1 3.327 5.197 -0.923 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 N LIG 1 5.698 2.341 -0.708 0.00 0.00 -0.283 N ATOM 9 H LIG 1 6.544 2.843 -0.930 0.00 0.00 +0.155 HD BRANCH 8 10 ATOM 10 C LIG 1 6.030 1.003 -0.521 0.00 0.00 +0.219 A ATOM 11 N LIG 1 5.117 0.066 -0.230 0.00 0.00 -0.222 NA ATOM 12 C LIG 1 5.555 -1.201 -0.063 0.00 0.00 +0.124 A ATOM 13 C LIG 1 6.874 -1.597 -0.167 0.00 0.00 +0.020 A ATOM 14 C LIG 1 7.727 -0.554 -0.467 0.00 0.00 +0.124 A ATOM 15 N LIG 1 7.339 0.728 -0.646 0.00 0.00 -0.222 NA BRANCH 13 16 ATOM 16 C LIG 1 7.319 -2.979 0.021 0.00 0.00 +0.003 A ATOM 17 C LIG 1 8.191 -3.602 -0.873 0.00 0.00 +0.119 A ATOM 18 N LIG 1 8.645 -4.873 -0.754 0.00 0.00 -0.263 NA ATOM 19 C LIG 1 8.209 -5.576 0.310 0.00 0.00 +0.111 A ATOM 20 C LIG 1 7.342 -5.066 1.260 0.00 0.00 +0.020 A ATOM 21 C LIG 1 6.894 -3.753 1.109 0.00 0.00 +0.011 A ENDBRANCH 13 16 ENDBRANCH 8 10 ENDBRANCH 3 8 BRANCH 5 22 ATOM 22 N LIG 1 0.817 2.476 -0.430 0.00 0.00 -0.299 N ATOM 23 H LIG 1 0.943 1.477 -0.555 0.00 0.00 +0.154 HD BRANCH 22 24 ATOM 24 C LIG 1 -0.495 2.829 -0.848 0.00 0.00 +0.134 A ATOM 25 C LIG 1 -1.591 2.138 -0.289 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -2.851 2.503 -0.777 0.00 0.00 +0.079 A ATOM 27 C LIG 1 -3.974 1.855 -0.276 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -3.894 0.860 0.704 0.00 0.00 +0.123 A ATOM 29 C LIG 1 -2.648 0.503 1.202 0.00 0.00 +0.046 A ATOM 30 N LIG 1 -3.018 3.449 -1.706 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -1.913 4.054 -2.153 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -1.504 1.137 0.712 0.00 0.00 +0.017 A ATOM 33 N LIG 1 -0.661 3.793 -1.770 0.00 0.00 -0.220 NA BRANCH 28 34 ATOM 34 O LIG 1 -5.099 0.335 1.073 0.00 0.00 -0.492 OA BRANCH 34 35 ATOM 35 C LIG 1 -5.141 -0.704 2.052 0.00 0.00 +0.230 C BRANCH 35 36 ATOM 36 C LIG 1 -4.903 -2.083 1.444 0.00 0.00 +0.056 C BRANCH 36 37 ATOM 37 C LIG 1 -5.716 -2.417 0.186 0.00 0.00 +0.087 C BRANCH 37 38 ATOM 38 N LIG 1 -7.151 -2.598 0.436 0.00 0.00 -0.302 NA ATOM 39 C LIG 1 -7.925 -1.356 0.308 0.00 0.00 +0.084 C ATOM 40 C LIG 1 -9.361 -1.839 0.141 0.00 0.00 +0.017 C ATOM 41 C LIG 1 -9.245 -3.269 -0.366 0.00 0.00 +0.017 C ATOM 42 C LIG 1 -7.755 -3.490 -0.562 0.00 0.00 +0.084 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 28 34 ENDBRANCH 22 24 ENDBRANCH 5 22 TORSDOF 10