REMARK Name = BDB032366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.269 3.769 -0.121 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.121 2.333 0.067 0.00 0.00 -0.026 A ATOM 3 C LIG 1 -0.767 1.373 0.568 0.00 0.00 +0.061 A ATOM 4 N LIG 1 -0.413 0.061 0.720 0.00 0.00 -0.256 NA ATOM 5 C LIG 1 0.860 -0.283 0.418 0.00 0.00 +0.134 A ATOM 6 C LIG 1 1.830 0.598 -0.054 0.00 0.00 +0.049 A ATOM 7 C LIG 1 1.428 1.923 -0.233 0.00 0.00 +0.029 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 3.153 0.244 -0.386 0.00 0.00 -0.317 N ATOM 9 C LIG 1 3.918 -0.431 0.714 0.00 0.00 +0.138 C ATOM 10 C LIG 1 4.307 0.611 1.770 0.00 0.00 +0.036 C ATOM 11 C LIG 1 5.160 -1.124 0.221 0.00 0.00 +0.154 A ATOM 12 N LIG 1 6.077 -1.778 0.899 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 7.011 -2.248 0.002 0.00 0.00 -0.125 NA ATOM 14 C LIG 1 6.643 -1.884 -1.214 0.00 0.00 +0.238 A ATOM 15 N LIG 1 5.468 -1.193 -1.111 0.00 0.00 -0.305 N ATOM 16 C LIG 1 4.644 -0.614 -2.151 0.00 0.00 +0.144 C ATOM 17 C LIG 1 3.194 -0.483 -1.675 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 7.323 -2.148 -2.503 0.00 0.00 +0.452 C ATOM 19 F LIG 1 8.555 -2.697 -2.370 0.00 0.00 -0.163 F ATOM 20 F LIG 1 7.475 -1.005 -3.226 0.00 0.00 -0.163 F ATOM 21 F LIG 1 6.593 -2.989 -3.283 0.00 0.00 -0.163 F ENDBRANCH 14 18 ENDBRANCH 6 8 BRANCH 3 22 ATOM 22 C LIG 1 -2.211 1.729 0.910 0.00 0.00 +0.157 C BRANCH 22 23 ATOM 23 N LIG 1 -2.786 0.729 1.826 0.00 0.00 -0.338 N ATOM 24 H LIG 1 -2.237 -0.128 1.730 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.164 0.510 1.592 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -4.648 -0.540 0.758 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -6.041 -0.650 0.527 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -6.494 -1.696 -0.307 0.00 0.00 +0.124 A ATOM 29 N LIG 1 -5.685 -2.604 -0.882 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 -4.367 -2.482 -0.647 0.00 0.00 +0.113 A ATOM 31 C LIG 1 -6.913 0.283 1.132 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -6.430 1.318 1.927 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -3.811 -1.489 0.139 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -5.063 1.436 2.142 0.00 0.00 +0.023 A BRANCH 28 35 ATOM 35 N LIG 1 -7.851 -1.869 -0.606 0.00 0.00 -0.343 N ATOM 36 H LIG 1 -8.228 -1.032 -1.034 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 -7.895 -2.662 -1.242 0.00 0.00 +0.144 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 6