REMARK Name = BDB056328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.062 -0.132 -0.126 0.00 0.00 +0.190 C ATOM 2 C LIG 1 -1.171 -1.086 0.282 0.00 0.00 -0.015 A ATOM 3 C LIG 1 -2.478 -0.832 -0.177 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -3.523 -1.707 0.160 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -3.280 -2.827 0.950 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.993 -3.084 1.409 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.761 0.395 -1.010 0.00 0.00 +0.054 C ATOM 8 C LIG 1 -2.577 1.672 -0.192 0.00 0.00 +0.112 C ATOM 9 N LIG 1 -1.211 2.123 0.104 0.00 0.00 -0.302 N ATOM 10 C LIG 1 -1.130 3.484 0.617 0.00 0.00 +0.132 C ATOM 11 C LIG 1 -0.946 -2.223 1.077 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -0.200 1.261 0.546 0.00 0.00 +0.240 C ATOM 13 O LIG 1 0.616 1.616 1.410 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 2.333 -0.442 -0.630 0.00 0.00 +0.230 C ATOM 15 N LIG 1 1.270 -0.628 0.229 0.00 0.00 -0.299 N ATOM 16 H LIG 1 1.485 -0.545 1.215 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 2.208 -0.063 -1.794 0.00 0.00 -0.274 OA BRANCH 14 19 ATOM 18 C LIG 1 4.231 0.563 0.653 0.00 0.00 +0.033 C ATOM 19 C LIG 1 3.711 -0.716 0.008 0.00 0.00 +0.135 C BRANCH 19 20 ATOM 20 N LIG 1 4.642 -1.213 -1.020 0.00 0.00 -0.320 NA ATOM 21 H LIG 1 5.600 -0.982 -0.767 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 4.444 -0.704 -1.888 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 1 15 TORSDOF 3