REMARK Name = BDB063441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.732 -0.744 0.202 0.00 0.00 -0.284 N ATOM 2 H LIG 1 1.476 -1.719 0.167 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -1.761 -0.064 0.387 0.00 0.00 +0.131 A ATOM 4 N LIG 1 -0.568 -0.703 0.321 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 0.568 0.016 0.286 0.00 0.00 +0.221 A ATOM 6 N LIG 1 0.595 1.350 0.330 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 -0.588 1.974 0.414 0.00 0.00 +0.118 A ATOM 8 C LIG 1 -1.791 1.317 0.452 0.00 0.00 +0.064 A BRANCH 3 10 ATOM 9 C LIG 1 -2.692 -2.265 0.495 0.00 0.00 +0.138 C ATOM 10 N LIG 1 -2.966 -0.827 0.442 0.00 0.00 -0.272 N BRANCH 10 11 ATOM 11 C LIG 1 -4.226 -0.398 0.118 0.00 0.00 +0.148 A ATOM 12 N LIG 1 -4.533 0.686 -0.597 0.00 0.00 -0.156 NA ATOM 13 N LIG 1 -5.875 0.711 -0.672 0.00 0.00 -0.269 N ATOM 14 C LIG 1 -6.463 1.792 -1.429 0.00 0.00 +0.172 C ATOM 15 C LIG 1 -6.485 -0.331 -0.011 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -5.421 -1.047 0.519 0.00 0.00 +0.069 A BRANCH 15 17 ATOM 17 C LIG 1 -7.983 -0.587 0.112 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -8.614 0.410 1.101 0.00 0.00 +0.017 C ATOM 19 C LIG 1 -8.699 -0.511 -1.249 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -8.240 -2.011 0.667 0.00 0.00 +0.017 C ENDBRANCH 15 17 ENDBRANCH 10 11 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 C LIG 1 3.094 -0.437 0.143 0.00 0.00 +0.034 A ATOM 22 C LIG 1 3.606 0.861 0.183 0.00 0.00 +0.024 A ATOM 23 C LIG 1 4.987 1.100 0.120 0.00 0.00 +0.013 A ATOM 24 C LIG 1 5.903 0.048 0.010 0.00 0.00 +0.017 A ATOM 25 C LIG 1 5.399 -1.256 -0.026 0.00 0.00 +0.013 A ATOM 26 C LIG 1 4.017 -1.489 0.039 0.00 0.00 +0.024 A BRANCH 24 27 ATOM 27 C LIG 1 7.338 0.350 -0.058 0.00 0.00 +0.139 A ATOM 28 N LIG 1 8.317 -0.572 -0.357 0.00 0.00 -0.338 N ATOM 29 H LIG 1 8.160 -1.545 -0.570 0.00 0.00 +0.167 HD ATOM 30 C LIG 1 9.539 0.051 -0.337 0.00 0.00 +0.069 A ATOM 31 C LIG 1 9.241 1.372 -0.022 0.00 0.00 +0.092 A ATOM 32 C LIG 1 10.275 2.311 0.083 0.00 0.00 +0.071 A ATOM 33 C LIG 1 11.580 1.870 -0.139 0.00 0.00 +0.161 A ATOM 34 C LIG 1 11.854 0.541 -0.455 0.00 0.00 +0.160 A ATOM 35 F LIG 1 13.121 0.154 -0.661 0.00 0.00 -0.202 F ATOM 36 F LIG 1 12.587 2.751 -0.044 0.00 0.00 -0.202 F ATOM 37 C LIG 1 10.838 -0.410 -0.564 0.00 0.00 +0.069 A ATOM 38 N LIG 1 7.890 1.536 0.141 0.00 0.00 -0.228 NA ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6