REMARK Name = BDB032426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.920 -0.368 2.867 0.00 0.00 +0.137 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 1.308 -1.074 1.021 0.00 0.00 +0.215 A ATOM 3 N LIG 1 1.183 -2.346 0.591 0.00 0.00 -0.221 NA ATOM 4 C LIG 1 0.032 -2.976 0.904 0.00 0.00 +0.115 A ATOM 5 C LIG 1 -0.998 -2.393 1.626 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.861 -1.068 2.050 0.00 0.00 -0.024 A ATOM 7 C LIG 1 0.333 -0.404 1.745 0.00 0.00 +0.072 A BRANCH 2 8 ATOM 8 O LIG 1 2.457 -0.359 0.748 0.00 0.00 -0.476 OA BRANCH 8 9 ATOM 9 C LIG 1 3.425 -1.112 0.017 0.00 0.00 +0.235 C BRANCH 9 15 ATOM 10 C LIG 1 7.961 2.243 -1.377 0.00 0.00 +0.104 C ATOM 11 N LIG 1 6.852 1.415 -0.934 0.00 0.00 -0.305 NA ATOM 12 C LIG 1 5.542 1.968 -1.315 0.00 0.00 +0.088 C ATOM 13 C LIG 1 4.649 0.765 -1.329 0.00 0.00 +0.014 C ATOM 14 C LIG 1 5.516 -0.438 -1.401 0.00 0.00 +0.014 C ATOM 15 C LIG 1 4.622 -0.237 -0.193 0.00 0.00 +0.036 C ATOM 16 C LIG 1 6.939 0.034 -1.434 0.00 0.00 +0.088 C ENDBRANCH 9 15 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 6 BRANCH 1 17 ATOM 17 N LIG 1 -3.269 -0.856 2.592 0.00 0.00 -0.340 N ATOM 18 H LIG 1 -3.821 -0.937 3.442 0.00 0.00 +0.146 HD BRANCH 17 19 ATOM 19 C LIG 1 -4.026 -0.338 1.537 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.406 -0.595 1.519 0.00 0.00 +0.031 A ATOM 21 C LIG 1 -6.238 -0.172 0.463 0.00 0.00 -0.011 A ATOM 22 C LIG 1 -5.682 0.508 -0.637 0.00 0.00 +0.022 A ATOM 23 C LIG 1 -6.564 0.911 -1.671 0.00 0.00 +0.124 A ATOM 24 N LIG 1 -7.888 0.673 -1.641 0.00 0.00 -0.240 NA ATOM 25 C LIG 1 -8.383 0.017 -0.575 0.00 0.00 +0.113 A ATOM 26 C LIG 1 -4.287 0.729 -0.637 0.00 0.00 +0.014 A ATOM 27 C LIG 1 -7.612 -0.421 0.486 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -3.479 0.300 0.424 0.00 0.00 +0.023 A BRANCH 23 29 ATOM 29 N LIG 1 -6.093 1.590 -2.807 0.00 0.00 -0.343 N ATOM 30 H LIG 1 -5.413 1.006 -3.282 0.00 0.00 +0.144 HD ATOM 31 H LIG 1 -5.637 2.449 -2.515 0.00 0.00 +0.144 HD ENDBRANCH 23 29 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 7