REMARK Name = BDB038953 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.961 0.048 0.089 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.816 -0.632 -0.284 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.494 -0.045 -0.079 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.360 -0.801 -0.723 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.572 -2.001 -1.441 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.502 -2.672 -2.050 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.191 -2.200 -1.950 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.991 -1.023 -1.221 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.132 -0.286 -0.906 0.00 0.00 -0.327 N ATOM 10 C LIG 1 0.265 0.812 -0.169 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.570 0.787 0.024 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.976 -2.533 -1.600 0.00 0.00 +0.054 C ATOM 13 C LIG 1 2.035 -0.330 -0.621 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.880 -2.074 -0.460 0.00 0.00 +0.116 C ATOM 15 O LIG 1 8.079 -0.456 0.120 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.655 1.886 0.355 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.327 3.235 -0.315 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -0.780 4.409 0.544 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.066 4.430 1.896 0.00 0.00 +0.000 C ATOM 20 C LIG 1 0.348 3.043 2.392 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -0.597 1.955 1.895 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.870 2.084 0.807 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.713 1.344 0.421 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.489 -0.612 -1.307 0.00 0.00 +0.132 C BRANCH 24 25 ATOM 25 C LIG 1 -2.332 -1.247 -0.180 0.00 0.00 +0.050 C BRANCH 25 26 ATOM 26 C LIG 1 -3.800 -1.253 -0.589 0.00 0.00 -0.036 A ATOM 27 C LIG 1 -4.721 -0.458 0.116 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -6.078 -0.429 -0.230 0.00 0.00 +0.123 A ATOM 29 C LIG 1 -6.528 -1.203 -1.295 0.00 0.00 +0.084 A ATOM 30 C LIG 1 -5.621 -1.991 -1.996 0.00 0.00 +0.127 A ATOM 31 F LIG 1 -6.055 -2.732 -3.024 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -4.271 -2.025 -1.658 0.00 0.00 +0.042 A BRANCH 28 33 ATOM 33 O LIG 1 -6.846 0.392 0.549 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 -8.238 0.439 0.257 0.00 0.00 +0.277 C ENDBRANCH 28 33 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 -1.827 -2.650 0.196 0.00 0.00 +0.130 C BRANCH 35 36 ATOM 36 C LIG 1 -2.601 -3.260 1.331 0.00 0.00 +0.305 C ATOM 37 O LIG 1 -3.132 -4.358 1.325 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -2.624 -2.489 2.434 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 -3.132 -3.018 3.085 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 9