REMARK Name = BDB037667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.783 -1.567 1.402 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.990 -1.010 0.135 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.432 0.185 -0.302 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -0.977 0.421 -1.601 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -1.889 -0.529 -1.875 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.456 0.986 0.604 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.177 0.021 1.577 0.00 0.00 +0.168 C ATOM 8 N LIG 1 -1.758 -1.459 -0.914 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.174 -0.955 2.236 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.321 -1.282 3.420 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -0.681 1.483 -2.590 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -1.716 1.951 -3.398 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -1.504 3.031 -4.325 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -2.845 3.539 -4.775 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -3.895 2.746 -4.046 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -1.906 4.445 -4.023 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.144 1.555 -3.397 0.00 0.00 +0.180 C ATOM 18 O LIG 1 0.456 1.934 -2.717 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.404 0.331 -4.186 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.677 -0.619 -4.792 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.399 -2.745 -1.157 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -2.084 -3.332 -2.552 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -3.206 -4.243 -3.048 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -3.799 -4.917 -1.941 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.547 -4.041 -1.094 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.913 -2.660 -0.944 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.218 -0.819 0.945 0.00 0.00 -0.298 N ATOM 28 H LIG 1 1.926 -1.379 0.149 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.179 -1.499 1.677 0.00 0.00 +0.265 C ATOM 30 O LIG 1 3.569 -2.601 1.272 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 3.669 -0.896 2.924 0.00 0.00 +0.147 A ATOM 32 N LIG 1 4.006 0.406 3.021 0.00 0.00 -0.166 NA ATOM 33 N LIG 1 4.388 0.549 4.305 0.00 0.00 -0.268 N ATOM 34 C LIG 1 4.220 -0.595 5.055 0.00 0.00 +0.109 A ATOM 35 C LIG 1 3.804 -1.560 4.178 0.00 0.00 +0.054 A BRANCH 33 36 ATOM 36 C LIG 1 4.915 1.834 4.785 0.00 0.00 +0.101 C ATOM 37 C LIG 1 3.953 2.987 4.481 0.00 0.00 +0.032 C ATOM 38 C LIG 1 6.321 2.086 4.224 0.00 0.00 +0.032 C ENDBRANCH 33 36 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 39 ATOM 39 C LIG 1 1.446 1.939 -0.019 0.00 0.00 -0.001 C ATOM 40 C LIG 1 2.124 2.990 0.833 0.00 0.00 +0.004 C ATOM 41 C LIG 1 1.109 3.407 -0.194 0.00 0.00 +0.004 C ENDBRANCH 6 39 BRANCH 1 43 ATOM 42 C LIG 1 -0.677 -3.986 1.910 0.00 0.00 +0.025 C ATOM 43 C LIG 1 -1.498 -2.701 1.984 0.00 0.00 +0.112 C ENDBRANCH 1 43 TORSDOF 8