REMARK Name = BDB003307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.257 2.558 0.439 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.260 1.917 -0.205 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 -0.543 0.729 -0.784 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -1.831 0.128 -0.701 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -2.844 0.831 -0.016 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -4.137 0.284 0.084 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -4.458 -0.963 -0.478 0.00 0.00 -0.044 A ATOM 8 C LIG 1 -3.445 -1.670 -1.132 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -2.158 -1.136 -1.241 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -2.547 2.066 0.560 0.00 0.00 +0.041 A ENDROOT BRANCH 3 11 ATOM 11 N LIG 1 0.500 0.075 -1.500 0.00 0.00 -0.284 N ATOM 12 C LIG 1 1.829 -0.001 -1.015 0.00 0.00 +0.039 A ATOM 13 C LIG 1 2.946 0.262 -1.823 0.00 0.00 -0.025 A ATOM 14 C LIG 1 4.242 0.122 -1.300 0.00 0.00 +0.014 A ATOM 15 C LIG 1 4.457 -0.251 0.036 0.00 0.00 -0.006 A ATOM 16 C LIG 1 3.353 -0.514 0.862 0.00 0.00 +0.027 A ATOM 17 C LIG 1 2.781 0.707 -3.251 0.00 0.00 +0.038 C ATOM 18 C LIG 1 1.390 1.276 -3.482 0.00 0.00 +0.024 C ATOM 19 C LIG 1 2.057 -0.375 0.322 0.00 0.00 +0.033 A ATOM 20 C LIG 1 0.358 0.290 -2.953 0.00 0.00 +0.113 C BRANCH 15 21 ATOM 21 C LIG 1 5.827 -0.345 0.497 0.00 0.00 +0.020 A ATOM 22 C LIG 1 6.371 0.413 1.510 0.00 0.00 +0.116 A ATOM 23 N LIG 1 7.680 0.040 1.601 0.00 0.00 -0.274 N ATOM 24 C LIG 1 8.660 0.536 2.536 0.00 0.00 +0.172 C ATOM 25 N LIG 1 8.043 -0.879 0.685 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 6.910 -1.114 0.016 0.00 0.00 +0.142 A ENDBRANCH 15 21 BRANCH 16 27 ATOM 27 C LIG 1 3.487 -0.937 2.302 0.00 0.00 +0.372 C ATOM 28 F LIG 1 4.409 -1.918 2.510 0.00 0.00 -0.204 F ATOM 29 F LIG 1 3.825 0.089 3.134 0.00 0.00 -0.204 F ENDBRANCH 16 27 ENDBRANCH 3 11 BRANCH 7 30 ATOM 30 C LIG 1 -5.872 -1.510 -0.321 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -5.973 -2.441 0.894 0.00 0.00 +0.036 C ATOM 32 C LIG 1 -5.407 -3.834 0.624 0.00 0.00 +0.160 C ATOM 33 O LIG 1 -5.499 -4.245 -0.741 0.00 0.00 -0.380 OA ATOM 34 C LIG 1 -6.620 -3.693 -1.417 0.00 0.00 +0.160 C ATOM 35 C LIG 1 -6.449 -2.185 -1.582 0.00 0.00 +0.036 C ENDBRANCH 7 30 BRANCH 1 39 ATOM 36 C LIG 1 -0.831 5.176 3.125 0.00 0.00 +0.128 C ATOM 37 N LIG 1 -1.254 4.011 2.389 0.00 0.00 -0.313 N ATOM 38 H LIG 1 -1.454 3.169 2.913 0.00 0.00 +0.149 HD ATOM 39 C LIG 1 -0.910 3.875 1.052 0.00 0.00 +0.262 C ATOM 40 O LIG 1 -0.360 4.754 0.400 0.00 0.00 -0.269 OA ENDBRANCH 1 39 TORSDOF 5