REMARK Name = BDB012470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.766 -0.289 -2.051 0.00 0.00 +0.164 A ATOM 2 C LIG 1 4.299 0.623 -1.114 0.00 0.00 +0.164 A ATOM 3 C LIG 1 3.697 0.798 0.144 0.00 0.00 +0.077 A ATOM 4 C LIG 1 2.558 0.029 0.427 0.00 0.00 +0.074 A ATOM 5 C LIG 1 2.036 -0.887 -0.475 0.00 0.00 +0.095 A ATOM 6 N LIG 1 0.949 -1.528 0.054 0.00 0.00 -0.214 NA ATOM 7 C LIG 1 0.790 -1.051 1.267 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.118 -1.493 2.202 0.00 0.00 -0.252 N ATOM 9 H LIG 1 0.097 -1.349 3.177 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 -0.998 -2.537 2.000 0.00 0.00 +0.250 C ATOM 11 O LIG 1 -1.288 -3.251 2.964 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -1.730 -2.739 0.714 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -2.062 -1.662 -0.114 0.00 0.00 +0.018 A ATOM 14 C LIG 1 -2.930 -1.804 -1.214 0.00 0.00 -0.025 A ATOM 15 C LIG 1 -3.425 -3.082 -1.502 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -3.085 -4.173 -0.694 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -3.312 -0.606 -2.075 0.00 0.00 +0.182 C ATOM 18 N LIG 1 -3.771 0.542 -1.281 0.00 0.00 -0.225 N ATOM 19 N LIG 1 -2.774 1.217 -0.611 0.00 0.00 -0.168 NA ATOM 20 C LIG 1 -3.111 1.951 0.397 0.00 0.00 +0.095 A ATOM 21 C LIG 1 -4.485 2.288 0.780 0.00 0.00 +0.035 A ATOM 22 C LIG 1 -5.443 1.675 0.078 0.00 0.00 +0.074 A ATOM 23 C LIG 1 -2.035 2.369 1.273 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -2.032 2.847 2.603 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -0.802 2.923 3.126 0.00 0.00 -0.179 NA ATOM 26 N LIG 1 -0.010 2.496 2.128 0.00 0.00 -0.269 N ATOM 27 C LIG 1 1.409 2.301 2.355 0.00 0.00 +0.165 C ATOM 28 C LIG 1 1.766 0.844 2.665 0.00 0.00 +0.148 C ATOM 29 C LIG 1 -0.689 2.230 0.982 0.00 0.00 +0.118 A ATOM 30 C LIG 1 -5.118 0.679 -0.976 0.00 0.00 +0.268 A ATOM 31 O LIG 1 -6.033 0.047 -1.498 0.00 0.00 -0.266 OA ATOM 32 C LIG 1 -2.256 -4.000 0.418 0.00 0.00 +0.013 A ATOM 33 N LIG 1 1.704 -0.042 1.511 0.00 0.00 -0.310 N ATOM 34 C LIG 1 2.634 -1.052 -1.732 0.00 0.00 +0.079 A ENDROOT BRANCH 1 36 ATOM 35 C LIG 1 3.905 -1.250 -4.236 0.00 0.00 +0.277 C ATOM 36 O LIG 1 4.431 -0.369 -3.253 0.00 0.00 -0.491 OA ENDBRANCH 1 36 BRANCH 2 37 ATOM 37 O LIG 1 5.412 1.318 -1.528 0.00 0.00 -0.491 OA ATOM 38 C LIG 1 6.089 2.118 -0.571 0.00 0.00 +0.277 C ENDBRANCH 2 37 TORSDOF 2