REMARK Name = BDB023969 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.414 -0.374 0.608 0.00 0.00 -0.263 N ATOM 2 C LIG 1 3.721 -1.375 1.534 0.00 0.00 +0.251 C ATOM 3 O LIG 1 4.789 -1.832 1.900 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.447 -1.871 2.068 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.235 -2.865 3.005 0.00 0.00 +0.013 A ATOM 6 C LIG 1 0.915 -3.159 3.343 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -0.149 -2.468 2.730 0.00 0.00 +0.010 A ATOM 8 C LIG 1 0.085 -1.471 1.765 0.00 0.00 +0.008 A ATOM 9 C LIG 1 1.408 -1.174 1.460 0.00 0.00 -0.008 A ATOM 10 C LIG 1 1.972 -0.163 0.518 0.00 0.00 +0.150 C ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -1.020 -0.775 1.112 0.00 0.00 +0.098 A ATOM 12 C LIG 1 -2.226 -1.312 0.590 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -2.727 -2.713 0.531 0.00 0.00 +0.146 C ATOM 14 N LIG 1 -3.954 -2.795 -0.285 0.00 0.00 -0.297 N ATOM 15 C LIG 1 -4.891 -1.656 -0.211 0.00 0.00 +0.114 C ATOM 16 C LIG 1 -4.230 -0.318 -0.596 0.00 0.00 +0.074 C ATOM 17 C LIG 1 -4.435 -3.999 -0.784 0.00 0.00 +0.213 C ATOM 18 O LIG 1 -5.558 -4.117 -1.274 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 -3.511 -5.190 -0.722 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -2.911 -0.226 0.081 0.00 0.00 +0.046 A ATOM 21 N LIG 1 -2.128 0.869 0.295 0.00 0.00 -0.264 N ATOM 22 N LIG 1 -0.965 0.550 0.902 0.00 0.00 -0.170 NA BRANCH 21 23 ATOM 23 C LIG 1 -2.370 2.268 -0.034 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -2.623 2.509 -1.522 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -2.752 4.004 -1.800 0.00 0.00 +0.162 C ATOM 26 O LIG 1 -3.239 4.748 -0.683 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -4.176 4.027 0.108 0.00 0.00 +0.162 C ATOM 28 C LIG 1 -3.470 2.892 0.837 0.00 0.00 +0.055 C ENDBRANCH 21 23 ENDBRANCH 8 11 BRANCH 1 32 ATOM 29 C LIG 1 6.161 1.916 -1.707 0.00 0.00 +0.120 A ATOM 30 C LIG 1 6.623 0.930 -0.842 0.00 0.00 +0.047 A ATOM 31 C LIG 1 5.719 0.175 -0.078 0.00 0.00 +0.027 A ATOM 32 C LIG 1 4.337 0.386 -0.160 0.00 0.00 +0.037 A ATOM 33 C LIG 1 3.888 1.384 -1.037 0.00 0.00 +0.027 A ATOM 34 C LIG 1 4.789 2.138 -1.800 0.00 0.00 +0.047 A BRANCH 29 36 ATOM 35 C LIG 1 8.338 2.531 -2.431 0.00 0.00 +0.277 C ATOM 36 O LIG 1 6.929 2.717 -2.504 0.00 0.00 -0.495 OA ENDBRANCH 29 36 ENDBRANCH 1 32 TORSDOF 4