REMARK Name = BDB026480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.139 0.305 -1.393 0.00 0.00 -0.278 N ATOM 2 C LIG 1 0.417 1.306 -0.758 0.00 0.00 +0.305 C ATOM 3 O LIG 1 0.600 2.510 -0.850 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -0.592 0.693 -0.016 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -0.660 -0.717 -0.344 0.00 0.00 +0.128 C ATOM 6 C LIG 1 0.715 -1.000 -0.936 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.417 0.531 -2.041 0.00 0.00 +0.164 C BRANCH 7 11 ATOM 8 C LIG 1 5.696 0.073 0.653 0.00 0.00 +0.055 A ATOM 9 C LIG 1 5.290 -0.922 -0.223 0.00 0.00 +0.124 A ATOM 10 N LIG 1 4.262 -0.788 -1.097 0.00 0.00 -0.258 NA ATOM 11 C LIG 1 3.588 0.393 -1.091 0.00 0.00 +0.059 A ATOM 12 C LIG 1 3.910 1.431 -0.217 0.00 0.00 +0.025 A ATOM 13 C LIG 1 4.975 1.266 0.667 0.00 0.00 +0.016 A BRANCH 8 15 ATOM 14 O LIG 1 6.759 0.368 2.715 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 6.820 -0.121 1.591 0.00 0.00 +0.248 C ATOM 16 N LIG 1 7.906 -0.852 1.151 0.00 0.00 -0.286 N ATOM 17 C LIG 1 9.193 -0.890 1.854 0.00 0.00 +0.185 C ATOM 18 C LIG 1 9.856 -1.207 0.505 0.00 0.00 +0.280 C ATOM 19 F LIG 1 10.939 -0.458 0.188 0.00 0.00 -0.202 F ATOM 20 F LIG 1 10.217 -2.500 0.318 0.00 0.00 -0.202 F ATOM 21 C LIG 1 8.538 -0.787 -0.169 0.00 0.00 +0.185 C ENDBRANCH 8 15 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -1.713 1.422 0.563 0.00 0.00 +0.142 C BRANCH 22 23 ATOM 23 C LIG 1 -2.647 2.020 -0.509 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -2.120 3.292 -0.933 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -1.153 3.185 -1.062 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.088 2.259 0.006 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.035 1.141 -0.195 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.728 -0.032 0.640 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -5.792 -1.111 0.624 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.098 -0.835 0.185 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -8.068 -1.845 0.201 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.752 -3.117 0.677 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.465 -3.390 1.135 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.431 0.529 -0.358 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -5.490 -2.392 1.111 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.412 1.592 0.073 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8