REMARK Name = BDB042084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.375 -1.055 -2.329 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.667 -0.211 0.569 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.385 -1.562 0.391 0.00 0.00 +0.248 C ATOM 4 O LIG 1 6.034 -2.523 0.755 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.109 -1.646 -0.328 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.606 -0.357 -0.463 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.398 -0.144 -1.104 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.697 -1.255 -1.612 0.00 0.00 -0.033 A ATOM 9 C LIG 1 2.234 -2.556 -1.462 0.00 0.00 +0.005 A ATOM 10 C LIG 1 3.452 -2.761 -0.810 0.00 0.00 +0.014 A ATOM 11 C LIG 1 4.521 0.619 0.194 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 9.137 2.529 -1.035 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.526 1.839 -0.225 0.00 0.00 +0.219 C ATOM 14 N LIG 1 7.727 2.417 0.728 0.00 0.00 -0.255 N ATOM 15 H LIG 1 7.693 3.427 0.715 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.794 1.798 1.527 0.00 0.00 +0.240 C ATOM 17 O LIG 1 5.972 2.470 2.148 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.733 0.263 1.458 0.00 0.00 +0.163 C ATOM 19 C LIG 1 8.124 -0.256 1.074 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.557 0.331 -0.261 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -0.623 -0.345 -1.514 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -1.098 -1.175 -0.389 0.00 0.00 +0.100 C ATOM 23 C LIG 1 -2.212 -0.478 0.427 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -3.384 -0.109 -0.407 0.00 0.00 -0.288 NA ATOM 25 C LIG 1 -2.883 0.739 -1.519 0.00 0.00 +0.101 C ATOM 26 C LIG 1 -1.781 0.037 -2.343 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 27 C LIG 1 -4.401 0.641 0.406 0.00 0.00 +0.136 C BRANCH 27 28 ATOM 28 C LIG 1 -4.822 -0.074 1.705 0.00 0.00 +0.063 A ATOM 29 N LIG 1 -4.586 0.581 2.876 0.00 0.00 -0.258 NA ATOM 30 C LIG 1 -4.947 -0.037 4.022 0.00 0.00 +0.111 A ATOM 31 C LIG 1 -5.531 -1.291 4.072 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -5.759 -1.956 2.874 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -5.401 -1.345 1.675 0.00 0.00 +0.025 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -5.654 1.036 -0.393 0.00 0.00 -0.024 A ATOM 35 C LIG 1 -6.280 2.267 -0.132 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -7.433 2.642 -0.824 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.982 1.790 -1.780 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.382 0.561 -2.043 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.229 0.183 -1.352 0.00 0.00 +0.005 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6