REMARK Name = BDB042142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.021 1.310 -3.198 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.944 1.323 -2.214 0.00 0.00 -0.289 N ATOM 3 C LIG 1 -0.875 1.938 -0.867 0.00 0.00 +0.092 C ATOM 4 C LIG 1 -1.621 1.032 0.135 0.00 0.00 +0.108 C ATOM 5 N LIG 1 -3.080 0.988 -0.158 0.00 0.00 -0.288 NA ATOM 6 C LIG 1 -3.301 0.954 -1.632 0.00 0.00 +0.108 C ATOM 7 C LIG 1 -1.756 3.049 -1.504 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -2.309 1.880 -2.365 0.00 0.00 +0.092 C ATOM 9 O LIG 1 -0.213 1.541 -4.380 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 17 ATOM 10 N LIG 1 4.930 -1.005 -0.605 0.00 0.00 -0.222 N ATOM 11 C LIG 1 3.571 -1.093 -0.468 0.00 0.00 +0.255 C ATOM 12 O LIG 1 2.920 -1.758 0.314 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 2.987 -0.205 -1.469 0.00 0.00 +0.050 A ATOM 14 C LIG 1 4.030 0.408 -2.139 0.00 0.00 +0.049 A ATOM 15 C LIG 1 3.811 1.315 -3.157 0.00 0.00 +0.014 A ATOM 16 C LIG 1 2.479 1.594 -3.486 0.00 0.00 +0.014 A ATOM 17 C LIG 1 1.410 0.980 -2.788 0.00 0.00 +0.038 A ATOM 18 C LIG 1 1.663 0.052 -1.768 0.00 0.00 +0.027 A ATOM 19 C LIG 1 5.277 -0.085 -1.557 0.00 0.00 +0.254 C ATOM 20 O LIG 1 6.381 0.309 -1.880 0.00 0.00 -0.270 OA BRANCH 10 27 ATOM 21 O LIG 1 9.361 -2.002 2.480 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 8.331 -1.895 1.822 0.00 0.00 +0.219 C ATOM 23 N LIG 1 7.437 -0.882 2.066 0.00 0.00 -0.255 N ATOM 24 H LIG 1 7.715 -0.209 2.767 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 6.281 -0.592 1.377 0.00 0.00 +0.240 C ATOM 26 O LIG 1 5.626 0.412 1.652 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 5.855 -1.627 0.330 0.00 0.00 +0.171 C ATOM 28 C LIG 1 7.085 -2.253 -0.321 0.00 0.00 +0.041 C ATOM 29 C LIG 1 7.947 -2.895 0.755 0.00 0.00 +0.098 C ENDBRANCH 10 27 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -3.752 -0.153 0.530 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 C LIG 1 -3.513 -0.176 2.045 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -3.110 -1.368 2.672 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -2.897 -1.413 4.051 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.090 -0.271 4.825 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.495 0.917 4.222 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.708 0.964 2.843 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -5.255 -0.246 0.238 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -5.828 -1.487 -0.089 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -7.197 -1.597 -0.343 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -8.014 -0.471 -0.268 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -7.465 0.765 0.063 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -6.097 0.877 0.318 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 5 30 TORSDOF 5