REMARK Name = BDB023854 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.699 2.581 -0.286 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -4.138 1.154 -0.065 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.143 0.214 0.171 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -1.753 0.602 0.500 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -0.831 -0.547 0.314 0.00 0.00 +0.018 A ATOM 6 C LIG 1 0.581 -0.638 0.348 0.00 0.00 +0.100 A ATOM 7 N LIG 1 1.000 -1.887 0.094 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -0.132 -2.590 -0.100 0.00 0.00 -0.270 N ATOM 9 C LIG 1 -0.039 -3.995 -0.413 0.00 0.00 +0.172 C ATOM 10 C LIG 1 -1.251 -1.831 0.036 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -2.667 -2.243 -0.114 0.00 0.00 +0.074 C ATOM 12 C LIG 1 -3.563 -1.160 0.521 0.00 0.00 +0.114 C ATOM 13 O LIG 1 -5.334 0.866 -0.112 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 1.502 0.471 0.620 0.00 0.00 +0.027 A ATOM 15 C LIG 1 2.810 0.615 0.056 0.00 0.00 +0.009 A ATOM 16 C LIG 1 3.349 1.798 0.569 0.00 0.00 +0.047 A ATOM 17 C LIG 1 4.625 2.264 0.226 0.00 0.00 +0.026 A ATOM 18 C LIG 1 5.376 1.500 -0.672 0.00 0.00 +0.002 A ATOM 19 C LIG 1 4.870 0.317 -1.203 0.00 0.00 +0.001 A ATOM 20 N LIG 1 2.412 2.338 1.419 0.00 0.00 -0.360 N ATOM 21 H LIG 1 2.544 3.191 1.944 0.00 0.00 +0.165 HD ATOM 22 C LIG 1 3.594 -0.134 -0.849 0.00 0.00 +0.010 A ATOM 23 C LIG 1 1.292 1.550 1.456 0.00 0.00 +0.093 A ENDBRANCH 6 14 TORSDOF 1