REMARK Name = BDB024493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.780 0.789 0.076 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.618 -0.005 0.115 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.682 -1.131 1.066 0.00 0.00 +0.082 C ATOM 4 C LIG 1 3.598 -0.628 2.518 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.644 -2.215 0.792 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.257 -1.610 0.762 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.214 -0.502 -0.250 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.006 -0.200 -0.898 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.244 -0.765 -0.711 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -2.059 -0.155 -1.548 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -1.376 0.791 -2.281 0.00 0.00 -0.331 N ATOM 12 C LIG 1 -1.943 1.645 -3.297 0.00 0.00 +0.150 C ATOM 13 C LIG 1 -0.059 0.775 -1.883 0.00 0.00 +0.069 A ATOM 14 C LIG 1 1.071 1.478 -2.286 0.00 0.00 +0.030 A ATOM 15 C LIG 1 2.274 1.187 -1.623 0.00 0.00 +0.026 A ATOM 16 C LIG 1 2.373 0.252 -0.578 0.00 0.00 +0.045 A ATOM 17 O LIG 1 5.858 0.423 0.542 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 5.784 2.854 -0.421 0.00 0.00 +0.282 C ATOM 19 O LIG 1 4.614 2.036 -0.446 0.00 0.00 -0.453 OA ENDBRANCH 1 19 BRANCH 10 20 ATOM 20 C LIG 1 -3.524 -0.440 -1.687 0.00 0.00 +0.096 C BRANCH 20 21 ATOM 21 C LIG 1 -4.361 0.361 -0.683 0.00 0.00 +0.132 C BRANCH 21 22 ATOM 22 N LIG 1 -4.468 -0.282 0.627 0.00 0.00 -0.315 N ATOM 23 C LIG 1 -5.467 -1.238 0.817 0.00 0.00 +0.251 A ATOM 24 O LIG 1 -6.291 -1.565 -0.035 0.00 0.00 -0.268 OA ATOM 25 C LIG 1 -5.510 -1.881 2.159 0.00 0.00 +0.070 A ATOM 26 C LIG 1 -4.602 -1.560 3.089 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -3.570 -0.597 2.801 0.00 0.00 +0.018 A ATOM 28 C LIG 1 -3.530 0.003 1.606 0.00 0.00 +0.089 A ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 10 20 TORSDOF 4