REMARK Name = BDB010493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.716 -0.644 -0.699 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.393 -0.204 -0.683 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.415 -1.295 -0.415 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.479 -2.299 -0.102 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.133 -3.518 0.329 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.191 -3.669 0.432 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.148 -2.767 0.098 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.788 -1.552 -0.371 0.00 0.00 +0.151 A ATOM 9 N LIG 1 1.765 -1.906 -0.297 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.326 0.324 -1.214 0.00 0.00 -0.041 A ATOM 11 C LIG 1 4.188 -0.428 -0.900 0.00 0.00 +0.035 A ATOM 12 C LIG 1 2.919 0.137 -1.050 0.00 0.00 +0.106 A ATOM 13 N LIG 1 2.736 1.393 -1.518 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 3.842 2.109 -1.815 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.135 1.630 -1.676 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 6.967 -1.140 0.093 0.00 0.00 +0.012 C ATOM 17 C LIG 1 6.731 -0.241 -1.124 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.076 -0.993 -2.413 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.638 -5.005 0.971 0.00 0.00 +0.375 C ATOM 20 O LIG 1 -0.926 -5.957 1.251 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 -2.975 -5.108 1.150 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 -3.089 -6.026 1.469 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.745 -0.638 -0.820 0.00 0.00 -0.313 N ATOM 24 C LIG 1 -2.772 -0.608 -2.290 0.00 0.00 +0.131 C BRANCH 23 25 ATOM 25 C LIG 1 -4.078 -0.594 -0.161 0.00 0.00 +0.075 C ATOM 26 C LIG 1 -3.952 -0.466 1.361 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -5.082 -1.671 -0.605 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -5.228 -3.053 0.097 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -6.738 -2.966 -0.199 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -6.574 -1.435 -0.216 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 -0.054 1.172 -0.837 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 0.302 2.092 0.350 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -0.561 1.812 1.585 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -0.123 2.658 2.786 0.00 0.00 +0.003 C ATOM 35 C LIG 1 0.304 4.094 2.426 0.00 0.00 -0.014 C ATOM 36 C LIG 1 1.823 4.269 2.509 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -0.233 4.512 1.055 0.00 0.00 +0.003 C ATOM 38 C LIG 1 0.182 3.569 -0.076 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9