REMARK Name = BDB039421 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.856 -6.266 -0.228 0.00 0.00 +0.150 C ATOM 2 N LIG 1 -1.550 -5.080 -0.667 0.00 0.00 -0.335 N ATOM 3 C LIG 1 -1.000 -3.822 -0.675 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -1.962 -2.942 -1.161 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -1.621 -1.578 -1.259 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -0.314 -1.240 -0.856 0.00 0.00 +0.034 A ATOM 7 C LIG 1 0.572 -2.215 -0.386 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -3.122 -3.719 -1.441 0.00 0.00 +0.029 A ATOM 9 N LIG 1 0.252 -3.526 -0.279 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -2.839 -5.032 -1.131 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.947 -1.877 0.046 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.731 -0.935 -0.655 0.00 0.00 +0.016 A ATOM 13 C LIG 1 4.014 -0.651 -0.210 0.00 0.00 -0.017 A ATOM 14 C LIG 1 5.043 0.262 -0.786 0.00 0.00 +0.144 C ATOM 15 N LIG 1 6.118 0.210 0.204 0.00 0.00 -0.282 N ATOM 16 C LIG 1 5.891 -0.801 1.133 0.00 0.00 +0.248 C ATOM 17 O LIG 1 6.650 -1.236 1.976 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.527 -1.292 0.911 0.00 0.00 +0.042 A ATOM 19 C LIG 1 3.810 -2.229 1.624 0.00 0.00 +0.014 A ATOM 20 C LIG 1 2.515 -2.517 1.181 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 7.454 0.763 -0.053 0.00 0.00 +0.163 C ATOM 22 C LIG 1 7.430 1.844 -1.147 0.00 0.00 +0.240 C ATOM 23 O LIG 1 7.285 1.580 -2.340 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.415 3.153 -0.725 0.00 0.00 -0.255 N ATOM 25 H LIG 1 7.299 3.846 -1.452 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 7.251 3.610 0.557 0.00 0.00 +0.219 C ATOM 27 O LIG 1 6.971 4.786 0.773 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 7.364 2.590 1.663 0.00 0.00 +0.098 C ATOM 29 C LIG 1 8.123 1.358 1.193 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 -2.560 -0.512 -1.778 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -3.752 -0.328 -0.940 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 -3.466 0.267 0.374 0.00 0.00 +0.085 C ATOM 33 C LIG 1 -3.840 1.748 0.460 0.00 0.00 +0.022 C ATOM 34 C LIG 1 -5.351 1.976 0.211 0.00 0.00 -0.027 C ATOM 35 C LIG 1 -6.160 1.950 1.536 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -6.507 3.401 1.837 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -6.727 3.989 0.457 0.00 0.00 +0.001 C ATOM 38 C LIG 1 -5.572 3.408 -0.346 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -5.899 0.897 -0.755 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -4.806 0.375 -1.687 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 4