REMARK Name = BDB006700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.212 1.936 -3.158 0.00 0.00 +0.068 C ATOM 2 C LIG 1 2.247 0.923 -2.079 0.00 0.00 +0.066 A ATOM 3 C LIG 1 1.182 0.330 -1.394 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -0.288 0.270 -1.296 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -0.466 -0.773 -0.224 0.00 0.00 -0.253 N ATOM 6 C LIG 1 0.796 -1.244 0.253 0.00 0.00 +0.270 C ATOM 7 O LIG 1 1.054 -2.069 1.110 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 1.753 -0.529 -0.508 0.00 0.00 +0.130 A ATOM 9 N LIG 1 3.091 -0.433 -0.640 0.00 0.00 -0.253 N ATOM 10 N LIG 1 3.423 0.443 -1.628 0.00 0.00 -0.175 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -1.726 -1.226 0.178 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -2.870 -0.779 -0.384 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -4.102 -1.254 0.059 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -4.249 -2.192 1.062 0.00 0.00 +0.164 A ATOM 15 N LIG 1 -5.527 -2.441 1.246 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -6.241 -1.662 0.367 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -3.068 -2.697 1.687 0.00 0.00 -0.004 A ATOM 18 C LIG 1 -3.122 -3.719 2.795 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -5.387 -0.950 -0.340 0.00 0.00 +0.135 A ATOM 20 C LIG 1 -5.724 0.029 -1.395 0.00 0.00 +0.088 C ATOM 21 C LIG 1 -1.875 -2.222 1.251 0.00 0.00 +0.032 A ENDBRANCH 5 11 BRANCH 4 22 ATOM 22 C LIG 1 -0.738 1.671 -0.927 0.00 0.00 -0.022 A ATOM 23 C LIG 1 -0.650 2.172 0.385 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -1.075 3.469 0.686 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.590 4.280 -0.321 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -2.114 5.876 0.049 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -1.682 3.808 -1.627 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -1.258 2.511 -1.929 0.00 0.00 +0.007 A ENDBRANCH 4 22 BRANCH 9 29 ATOM 29 C LIG 1 4.068 -1.253 0.084 0.00 0.00 +0.136 C ATOM 30 C LIG 1 4.079 -0.994 1.608 0.00 0.00 +0.112 C ATOM 31 N LIG 1 5.562 -1.097 1.547 0.00 0.00 -0.301 NA ATOM 32 C LIG 1 6.184 -0.071 2.378 0.00 0.00 +0.105 C ATOM 33 C LIG 1 5.491 -0.649 0.128 0.00 0.00 +0.112 C ENDBRANCH 9 29 TORSDOF 3