REMARK Name = BDB052739 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.064 -1.563 -0.824 0.00 0.00 +0.167 A ATOM 2 C LIG 1 0.617 -2.538 -1.664 0.00 0.00 +0.178 A ATOM 3 N LIG 1 1.966 -2.442 -1.855 0.00 0.00 -0.302 N ATOM 4 C LIG 1 2.324 -3.472 -2.680 0.00 0.00 +0.112 A ATOM 5 C LIG 1 1.149 -4.146 -2.944 0.00 0.00 +0.131 A ATOM 6 C LIG 1 2.686 -1.439 -1.254 0.00 0.00 +0.122 A ATOM 7 C LIG 1 2.029 -0.556 -0.473 0.00 0.00 +0.110 A ATOM 8 N LIG 1 0.082 -3.557 -2.305 0.00 0.00 -0.233 NA ATOM 9 N LIG 1 0.652 -0.618 -0.259 0.00 0.00 -0.225 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 2.718 0.525 0.203 0.00 0.00 +0.112 A ATOM 11 N LIG 1 4.024 0.809 0.044 0.00 0.00 -0.170 NA ATOM 12 N LIG 1 4.238 1.867 0.845 0.00 0.00 -0.274 N ATOM 13 C LIG 1 5.559 2.444 0.917 0.00 0.00 +0.172 C ATOM 14 C LIG 1 3.131 2.276 1.520 0.00 0.00 +0.108 A ATOM 15 C LIG 1 2.124 1.426 1.129 0.00 0.00 +0.051 A ENDBRANCH 7 10 BRANCH 1 16 ATOM 16 N LIG 1 -1.429 -1.705 -0.660 0.00 0.00 -0.296 N ATOM 17 H LIG 1 -1.813 -2.513 -1.141 0.00 0.00 +0.154 HD BRANCH 16 21 ATOM 18 C LIG 1 -4.387 0.747 1.129 0.00 0.00 +0.120 A ATOM 19 C LIG 1 -3.101 1.246 0.946 0.00 0.00 +0.047 A ATOM 20 C LIG 1 -2.111 0.451 0.348 0.00 0.00 +0.027 A ATOM 21 C LIG 1 -2.381 -0.848 -0.089 0.00 0.00 +0.033 A ATOM 22 C LIG 1 -3.680 -1.339 0.114 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -4.670 -0.551 0.711 0.00 0.00 +0.047 A BRANCH 18 25 ATOM 24 C LIG 1 -5.193 2.740 2.140 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.439 1.411 1.696 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 1 16 TORSDOF 4