REMARK Name = BDB015695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.401 0.148 -0.239 0.00 0.00 +0.145 A ATOM 2 N LIG 1 0.902 -0.999 0.225 0.00 0.00 -0.179 NA ATOM 3 C LIG 1 -0.431 -1.074 0.242 0.00 0.00 +0.320 A ATOM 4 N LIG 1 -1.268 -0.118 -0.184 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -0.714 1.014 -0.661 0.00 0.00 +0.081 A ATOM 6 C LIG 1 0.651 1.182 -0.739 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.671 2.046 -1.133 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.421 3.353 -0.921 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -2.295 4.351 -1.330 0.00 0.00 -0.318 N ATOM 10 C LIG 1 -1.941 5.736 -1.060 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -3.498 4.073 -1.974 0.00 0.00 +0.251 A ATOM 12 O LIG 1 -4.305 4.912 -2.362 0.00 0.00 -0.268 OA ATOM 13 C LIG 1 -3.793 2.633 -2.188 0.00 0.00 +0.071 A ATOM 14 C LIG 1 -2.926 1.697 -1.784 0.00 0.00 +0.017 A ENDBRANCH 5 7 BRANCH 1 15 ATOM 15 N LIG 1 2.820 0.118 -0.263 0.00 0.00 -0.204 N ATOM 16 H LIG 1 3.074 -0.794 0.128 0.00 0.00 +0.175 HD BRANCH 15 17 ATOM 17 S LIG 1 3.589 1.327 0.630 0.00 0.00 +0.044 S ATOM 18 O LIG 1 3.010 2.611 0.289 0.00 0.00 -0.155 OA ATOM 19 O LIG 1 3.640 0.881 2.003 0.00 0.00 -0.155 OA BRANCH 17 20 ATOM 20 C LIG 1 5.237 1.299 -0.065 0.00 0.00 +0.188 C BRANCH 20 21 ATOM 21 C LIG 1 5.928 -0.060 -0.094 0.00 0.00 +0.024 C BRANCH 21 23 ATOM 22 C LIG 1 7.223 -1.816 1.167 0.00 0.00 +0.004 C ATOM 23 C LIG 1 6.367 -0.563 1.282 0.00 0.00 -0.002 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 15 17 ENDBRANCH 1 15 BRANCH 3 24 ATOM 24 O LIG 1 -0.929 -2.267 0.715 0.00 0.00 -0.459 OA BRANCH 24 25 ATOM 25 C LIG 1 -2.351 -2.320 0.862 0.00 0.00 +0.177 C ATOM 26 C LIG 1 -2.654 -3.345 1.970 0.00 0.00 +0.044 C ATOM 27 C LIG 1 -4.047 -3.969 1.871 0.00 0.00 +0.004 C ATOM 28 C LIG 1 -5.023 -3.087 1.105 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -4.540 -2.807 -0.320 0.00 0.00 +0.004 C ATOM 30 C LIG 1 -3.017 -2.755 -0.446 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 8