REMARK Name = BDB010878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.736 0.044 -0.608 0.00 0.00 -0.318 N ATOM 2 C LIG 1 -1.132 1.242 -0.046 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -2.272 0.912 0.673 0.00 0.00 +0.183 A ATOM 4 N LIG 1 -2.971 1.770 1.429 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -2.458 3.000 1.426 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.371 3.439 0.751 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 -2.612 -0.394 0.505 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -0.689 2.560 -0.020 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -1.702 -0.906 -0.303 0.00 0.00 +0.180 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.150 4.026 2.238 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.675 5.282 2.248 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.876 5.636 1.749 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.477 5.996 3.048 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.363 7.184 3.301 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.454 5.164 3.537 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.201 3.870 2.976 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 0.430 3.110 -0.769 0.00 0.00 +0.004 A ATOM 18 C LIG 1 1.603 3.508 -0.109 0.00 0.00 +0.030 A ATOM 19 C LIG 1 2.669 4.051 -0.826 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 4.106 4.507 0.000 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 2.582 4.217 -2.206 0.00 0.00 +0.020 A ATOM 22 C LIG 1 1.416 3.847 -2.874 0.00 0.00 +0.002 A ATOM 23 C LIG 1 0.345 3.303 -2.159 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 C LIG 1 -1.764 -2.292 -0.765 0.00 0.00 +0.201 C ATOM 25 O LIG 1 -0.983 -2.747 -1.600 0.00 0.00 -0.289 OA BRANCH 24 26 ATOM 26 C LIG 1 -2.863 -3.164 -0.153 0.00 0.00 +0.068 C ATOM 27 C LIG 1 -3.143 -4.402 -1.016 0.00 0.00 +0.039 C ATOM 28 C LIG 1 -4.137 -5.322 -0.323 0.00 0.00 +0.160 C ATOM 29 O LIG 1 -3.656 -5.693 0.968 0.00 0.00 -0.380 OA ATOM 30 C LIG 1 -3.499 -4.567 1.830 0.00 0.00 +0.160 C ATOM 31 C LIG 1 -2.473 -3.597 1.264 0.00 0.00 +0.039 C ENDBRANCH 24 26 ENDBRANCH 9 24 BRANCH 1 32 ATOM 32 C LIG 1 0.477 -0.226 -1.366 0.00 0.00 +0.127 C BRANCH 32 37 ATOM 33 C LIG 1 5.484 -1.168 0.798 0.00 0.00 +0.007 C ATOM 34 C LIG 1 4.555 -0.767 -0.348 0.00 0.00 -0.014 C ATOM 35 C LIG 1 3.555 0.318 0.089 0.00 0.00 +0.003 C ATOM 36 C LIG 1 2.218 -0.273 0.528 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.527 -1.063 -0.603 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.544 -1.641 -1.608 0.00 0.00 +0.005 C ATOM 39 C LIG 1 3.856 -2.010 -0.926 0.00 0.00 +0.003 C ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 6