REMARK Name = BDB039403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.336 -1.092 0.381 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -0.794 -2.326 0.696 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -2.045 -2.352 1.193 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -2.889 -1.263 1.402 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -4.103 -1.782 1.940 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -3.970 -3.150 2.044 0.00 0.00 +0.089 A ATOM 7 C LIG 1 -2.408 0.017 1.062 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -2.719 -3.479 1.589 0.00 0.00 -0.324 N ATOM 9 C LIG 1 -1.098 0.069 0.546 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.349 0.434 -1.137 0.00 0.00 -0.282 N ATOM 11 C LIG 1 5.003 -0.813 -1.639 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.687 -1.570 -2.299 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.619 -1.066 -1.224 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.202 -0.003 -0.430 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.922 0.012 0.107 0.00 0.00 +0.016 A ATOM 16 C LIG 1 1.042 -1.059 -0.165 0.00 0.00 +0.001 A ATOM 17 C LIG 1 1.514 -2.128 -0.975 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.806 -2.141 -1.512 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.310 0.986 -0.277 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 9.918 3.142 0.199 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.027 2.440 -0.270 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.666 1.260 0.329 0.00 0.00 -0.255 N ATOM 23 H LIG 1 9.129 1.078 1.210 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.455 0.623 0.176 0.00 0.00 +0.240 C ATOM 25 O LIG 1 7.023 -0.106 1.066 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.726 0.913 -1.146 0.00 0.00 +0.163 C ATOM 27 C LIG 1 6.821 2.406 -1.447 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.284 2.812 -1.532 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -2.139 -4.835 1.517 0.00 0.00 +0.140 C ATOM 30 C LIG 1 -2.315 -5.653 2.795 0.00 0.00 +0.187 C ATOM 31 O LIG 1 -3.333 -6.479 2.174 0.00 0.00 -0.376 OA ATOM 32 C LIG 1 -3.065 -5.872 0.884 0.00 0.00 +0.187 C ENDBRANCH 8 29 BRANCH 7 33 ATOM 33 C LIG 1 -3.204 1.293 1.234 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -3.298 2.080 -0.007 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 -4.164 1.452 -1.021 0.00 0.00 +0.091 C ATOM 36 C LIG 1 -5.595 1.824 -0.634 0.00 0.00 +0.035 C ATOM 37 C LIG 1 -5.456 3.096 0.191 0.00 0.00 +0.035 C ATOM 38 C LIG 1 -6.256 4.137 -0.566 0.00 0.00 +0.165 C ATOM 39 O LIG 1 -6.369 3.647 -1.908 0.00 0.00 -0.379 OA ATOM 40 C LIG 1 -6.461 2.220 -1.813 0.00 0.00 +0.165 C ATOM 41 C LIG 1 -3.954 3.378 0.223 0.00 0.00 +0.091 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 5