REMARK Name = BDB056515 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.511 0.210 0.079 0.00 0.00 +0.081 C ATOM 2 C LIG 1 2.664 -0.489 0.123 0.00 0.00 +0.058 C ATOM 3 C LIG 1 4.007 0.146 0.126 0.00 0.00 +0.000 A ATOM 4 C LIG 1 5.148 -0.671 0.060 0.00 0.00 +0.045 A ATOM 5 C LIG 1 6.440 -0.119 0.058 0.00 0.00 +0.013 A ATOM 6 C LIG 1 6.613 1.259 0.127 0.00 0.00 +0.001 A ATOM 7 C LIG 1 5.499 2.086 0.201 0.00 0.00 +0.001 A ATOM 8 C LIG 1 5.018 -2.143 -0.001 0.00 0.00 +0.251 C ATOM 9 O LIG 1 6.002 -2.874 -0.045 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 3.749 -2.661 0.015 0.00 0.00 -0.248 N ATOM 11 H LIG 1 3.684 -3.669 0.031 0.00 0.00 +0.158 HD ATOM 12 C LIG 1 4.211 1.536 0.203 0.00 0.00 +0.009 A ATOM 13 C LIG 1 2.566 -1.988 0.153 0.00 0.00 +0.252 C ATOM 14 O LIG 1 1.516 -2.607 0.308 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 15 N LIG 1 0.212 -0.254 0.033 0.00 0.00 -0.348 N ATOM 16 H LIG 1 0.147 -1.266 0.204 0.00 0.00 +0.146 HD BRANCH 15 17 ATOM 17 C LIG 1 -0.963 0.524 0.398 0.00 0.00 +0.108 C BRANCH 17 18 ATOM 18 C LIG 1 -2.291 -0.106 -0.107 0.00 0.00 -0.007 C ATOM 19 C LIG 1 -2.242 -0.286 -1.636 0.00 0.00 +0.014 C ATOM 20 C LIG 1 -2.525 -1.479 0.556 0.00 0.00 +0.014 C BRANCH 18 21 ATOM 21 C LIG 1 -3.434 0.878 0.304 0.00 0.00 +0.091 C BRANCH 21 23 ATOM 22 C LIG 1 -5.312 1.232 -1.198 0.00 0.00 +0.104 C ATOM 23 N LIG 1 -4.781 0.431 -0.093 0.00 0.00 -0.308 NA ATOM 24 C LIG 1 -5.711 0.469 1.036 0.00 0.00 +0.104 C ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 1 15 TORSDOF 5