REMARK Name = BDB022791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.103 -0.556 1.850 0.00 0.00 +0.002 C ATOM 2 C LIG 1 -1.239 -1.497 1.408 0.00 0.00 +0.159 C ATOM 3 C LIG 1 -2.099 -0.696 0.451 0.00 0.00 +0.174 C ATOM 4 O LIG 1 -3.396 -1.287 0.555 0.00 0.00 -0.341 OA ATOM 5 C LIG 1 -3.418 -1.981 1.810 0.00 0.00 +0.165 C ATOM 6 C LIG 1 -4.513 -1.405 2.699 0.00 0.00 +0.074 C ATOM 7 C LIG 1 -3.664 -3.463 1.540 0.00 0.00 +0.074 C ATOM 8 C LIG 1 -2.055 0.745 0.992 0.00 0.00 +0.121 C ATOM 9 O LIG 1 -2.150 -1.818 2.462 0.00 0.00 -0.343 OA ATOM 10 C LIG 1 -0.840 0.811 1.945 0.00 0.00 +0.037 C ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 -2.074 1.735 -0.079 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -3.227 2.324 -0.553 0.00 0.00 +0.146 A ATOM 13 C LIG 1 -2.879 3.197 -1.575 0.00 0.00 +0.058 A ATOM 14 C LIG 1 -3.925 3.901 -2.189 0.00 0.00 +0.129 A ATOM 15 N LIG 1 -5.187 3.693 -1.768 0.00 0.00 -0.220 NA ATOM 16 C LIG 1 -5.385 2.820 -0.761 0.00 0.00 +0.225 A ATOM 17 C LIG 1 -1.467 3.129 -1.711 0.00 0.00 +0.032 A ATOM 18 N LIG 1 -4.471 2.092 -0.100 0.00 0.00 -0.218 NA ATOM 19 C LIG 1 -0.999 2.221 -0.783 0.00 0.00 +0.089 A BRANCH 14 20 ATOM 20 N LIG 1 -3.740 4.798 -3.232 0.00 0.00 -0.343 N ATOM 21 H LIG 1 -4.618 4.973 -3.707 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 -2.941 4.604 -3.818 0.00 0.00 +0.144 HD ENDBRANCH 14 20 ENDBRANCH 8 11 BRANCH 1 24 ATOM 23 C LIG 1 1.568 -0.042 3.763 0.00 0.00 +0.004 C ATOM 24 C LIG 1 0.471 -0.960 3.232 0.00 0.00 +0.006 C ENDBRANCH 1 24 BRANCH 1 25 ATOM 25 C LIG 1 0.998 -0.487 0.750 0.00 0.00 +0.016 C BRANCH 25 26 ATOM 26 C LIG 1 1.880 -1.739 0.617 0.00 0.00 +0.056 C BRANCH 26 27 ATOM 27 C LIG 1 2.813 -1.617 -0.564 0.00 0.00 +0.044 A ATOM 28 N LIG 1 3.803 -0.698 -0.460 0.00 0.00 -0.232 NA ATOM 29 C LIG 1 4.662 -0.526 -1.468 0.00 0.00 +0.162 A ATOM 30 C LIG 1 4.550 -1.291 -2.643 0.00 0.00 +0.019 A ATOM 31 C LIG 1 5.468 -1.083 -3.677 0.00 0.00 +0.015 A ATOM 32 C LIG 1 6.461 -0.129 -3.515 0.00 0.00 +0.044 A ATOM 33 C LIG 1 6.503 0.587 -2.328 0.00 0.00 +0.119 A ATOM 34 C LIG 1 3.524 -2.240 -2.746 0.00 0.00 +0.013 A ATOM 35 N LIG 1 5.624 0.389 -1.333 0.00 0.00 -0.213 NA ATOM 36 C LIG 1 2.639 -2.406 -1.690 0.00 0.00 +0.024 A BRANCH 33 37 ATOM 37 N LIG 1 7.497 1.554 -2.135 0.00 0.00 -0.343 N ATOM 38 H LIG 1 7.432 2.267 -2.854 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 8.414 1.123 -2.188 0.00 0.00 +0.144 HD ENDBRANCH 33 37 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 7