REMARK Name = BDB001783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.498 -0.407 0.429 0.00 0.00 +0.232 A ATOM 2 O LIG 1 1.090 -1.313 1.238 0.00 0.00 -0.403 OA ATOM 3 C LIG 1 2.440 -1.396 1.285 0.00 0.00 +0.348 A ATOM 4 O LIG 1 3.010 -2.206 2.007 0.00 0.00 -0.244 OA ATOM 5 C LIG 1 3.205 -0.477 0.435 0.00 0.00 +0.085 A ATOM 6 C LIG 1 2.492 0.411 -0.354 0.00 0.00 +0.082 A ATOM 7 C LIG 1 3.190 1.299 -1.175 0.00 0.00 +0.029 A ATOM 8 C LIG 1 4.588 1.293 -1.199 0.00 0.00 +0.002 A ATOM 9 C LIG 1 5.296 0.395 -0.400 0.00 0.00 +0.001 A ATOM 10 C LIG 1 4.605 -0.495 0.421 0.00 0.00 +0.017 A ATOM 11 N LIG 1 1.101 0.434 -0.346 0.00 0.00 -0.212 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -3.162 0.340 -0.169 0.00 0.00 +0.121 A ATOM 13 C LIG 1 -1.766 0.380 -0.235 0.00 0.00 +0.058 A ATOM 14 C LIG 1 -0.983 -0.490 0.537 0.00 0.00 +0.040 A ATOM 15 C LIG 1 -1.616 -1.408 1.383 0.00 0.00 +0.013 A ATOM 16 C LIG 1 -3.010 -1.451 1.452 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -3.781 -0.580 0.678 0.00 0.00 +0.045 A BRANCH 12 19 ATOM 18 C LIG 1 -5.219 1.247 -0.947 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -3.797 1.244 -0.975 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 1 14 TORSDOF 2