REMARK Name = BDB018133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.867 -1.257 0.409 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -0.998 -0.126 1.430 0.00 0.00 +0.122 C ATOM 3 C LIG 1 -2.457 0.114 1.826 0.00 0.00 +0.198 C ATOM 4 C LIG 1 -2.955 1.122 0.773 0.00 0.00 +0.252 C ATOM 5 O LIG 1 -1.778 1.744 0.182 0.00 0.00 -0.344 OA ATOM 6 C LIG 1 -0.629 1.268 0.903 0.00 0.00 +0.192 C ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.767 0.536 -0.291 0.00 0.00 -0.300 N ATOM 8 C LIG 1 -4.995 -0.053 -0.079 0.00 0.00 +0.151 A ATOM 9 C LIG 1 -5.495 -0.480 -1.302 0.00 0.00 +0.094 A ATOM 10 C LIG 1 -6.737 -1.123 -1.291 0.00 0.00 +0.131 A ATOM 11 N LIG 1 -7.377 -1.276 -0.114 0.00 0.00 -0.220 NA ATOM 12 C LIG 1 -6.782 -0.814 1.003 0.00 0.00 +0.225 A ATOM 13 C LIG 1 -4.535 -0.106 -2.260 0.00 0.00 +0.153 A ATOM 14 F LIG 1 -4.628 -0.312 -3.578 0.00 0.00 -0.203 F ATOM 15 N LIG 1 -5.595 -0.193 1.114 0.00 0.00 -0.217 NA ATOM 16 C LIG 1 -3.488 0.526 -1.639 0.00 0.00 +0.129 A BRANCH 10 17 ATOM 17 N LIG 1 -7.364 -1.608 -2.427 0.00 0.00 -0.342 N ATOM 18 H LIG 1 -7.094 -1.169 -3.297 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -8.354 -1.760 -2.272 0.00 0.00 +0.144 HD ENDBRANCH 10 17 ENDBRANCH 4 7 BRANCH 3 20 ATOM 20 O LIG 1 -2.480 0.723 3.134 0.00 0.00 -0.384 OA ATOM 21 H LIG 1 -1.784 0.251 3.639 0.00 0.00 +0.210 HD ENDBRANCH 3 20 BRANCH 2 22 ATOM 22 O LIG 1 -0.236 -0.483 2.591 0.00 0.00 -0.383 OA ATOM 23 H LIG 1 0.708 -0.437 2.336 0.00 0.00 +0.210 HD ENDBRANCH 2 22 BRANCH 6 24 ATOM 24 C LIG 1 0.622 1.337 0.028 0.00 0.00 +0.263 C BRANCH 24 25 ATOM 25 O LIG 1 1.718 0.773 0.750 0.00 0.00 -0.489 OA BRANCH 25 26 ATOM 26 C LIG 1 2.924 0.716 0.108 0.00 0.00 +0.123 A ATOM 27 C LIG 1 3.947 0.104 0.842 0.00 0.00 +0.074 A ATOM 28 C LIG 1 5.233 -0.041 0.339 0.00 0.00 +0.077 A ATOM 29 C LIG 1 5.499 0.453 -0.953 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.795 0.301 -1.456 0.00 0.00 +0.013 A ATOM 31 C LIG 1 7.763 -0.321 -0.676 0.00 0.00 +0.044 A ATOM 32 C LIG 1 7.412 -0.768 0.586 0.00 0.00 +0.117 A ATOM 33 C LIG 1 4.482 1.072 -1.697 0.00 0.00 +0.013 A ATOM 34 N LIG 1 6.174 -0.641 1.090 0.00 0.00 -0.232 NA ATOM 35 C LIG 1 3.197 1.204 -1.166 0.00 0.00 +0.046 A BRANCH 32 36 ATOM 36 N LIG 1 8.347 -1.416 1.391 0.00 0.00 -0.343 N ATOM 37 H LIG 1 7.886 -1.615 2.275 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 9.180 -0.855 1.520 0.00 0.00 +0.144 HD ENDBRANCH 32 36 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 8