REMARK Name = BDB063440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.027 -0.940 -2.044 0.00 0.00 +0.141 A ATOM 2 C LIG 1 3.033 -0.695 -1.069 0.00 0.00 +0.076 A ATOM 3 C LIG 1 3.414 -0.066 0.124 0.00 0.00 +0.038 A ATOM 4 C LIG 1 4.745 0.328 0.364 0.00 0.00 +0.019 A ATOM 5 C LIG 1 5.701 0.098 -0.635 0.00 0.00 +0.015 A ATOM 6 C LIG 1 5.344 -0.528 -1.834 0.00 0.00 +0.048 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 5.094 0.922 1.663 0.00 0.00 +0.139 A ATOM 8 N LIG 1 6.324 1.463 1.970 0.00 0.00 -0.338 N ATOM 9 H LIG 1 7.103 1.549 1.338 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 6.343 1.801 3.299 0.00 0.00 +0.067 A ATOM 11 C LIG 1 5.067 1.485 3.752 0.00 0.00 +0.102 A ATOM 12 C LIG 1 4.773 1.685 5.111 0.00 0.00 +0.064 A ATOM 13 C LIG 1 5.759 2.188 5.971 0.00 0.00 +0.015 A ATOM 14 C LIG 1 7.024 2.511 5.474 0.00 0.00 +0.003 A ATOM 15 C LIG 1 7.344 2.326 4.121 0.00 0.00 +0.028 A ATOM 16 N LIG 1 4.303 0.996 2.719 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 3.451 1.345 5.643 0.00 0.00 +0.244 C ATOM 18 O LIG 1 3.283 0.379 6.377 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 2.438 2.211 5.308 0.00 0.00 -0.325 N ATOM 20 H LIG 1 1.504 1.873 5.509 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 2.540 2.799 4.489 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 23 ATOM 22 C LIG 1 4.581 -2.318 -3.895 0.00 0.00 +0.277 C ATOM 23 O LIG 1 3.595 -1.576 -3.188 0.00 0.00 -0.493 OA ENDBRANCH 1 23 BRANCH 2 24 ATOM 24 N LIG 1 1.719 -1.105 -1.347 0.00 0.00 -0.281 N ATOM 25 H LIG 1 1.612 -1.583 -2.232 0.00 0.00 +0.155 HD BRANCH 24 26 ATOM 26 C LIG 1 0.495 -0.994 -0.705 0.00 0.00 +0.221 A ATOM 27 N LIG 1 -0.534 -1.580 -1.341 0.00 0.00 -0.199 NA ATOM 28 C LIG 1 -1.765 -1.510 -0.798 0.00 0.00 +0.130 A ATOM 29 C LIG 1 -1.963 -0.874 0.416 0.00 0.00 +0.064 A ATOM 30 C LIG 1 -0.862 -0.303 1.000 0.00 0.00 +0.118 A ATOM 31 N LIG 1 0.364 -0.343 0.456 0.00 0.00 -0.223 NA BRANCH 28 32 ATOM 32 N LIG 1 -2.878 -2.130 -1.439 0.00 0.00 -0.288 N ATOM 33 C LIG 1 -2.505 -2.804 -2.696 0.00 0.00 +0.137 C BRANCH 32 34 ATOM 34 C LIG 1 -4.161 -1.503 -1.595 0.00 0.00 +0.037 A ATOM 35 C LIG 1 -4.251 -0.105 -1.828 0.00 0.00 +0.053 A ATOM 36 C LIG 1 -5.560 0.371 -2.014 0.00 0.00 +0.095 A ATOM 37 C LIG 1 -6.691 -0.520 -1.963 0.00 0.00 +0.023 A ATOM 38 C LIG 1 -7.815 0.234 -2.207 0.00 0.00 +0.044 A ATOM 39 N LIG 1 -7.331 1.510 -2.372 0.00 0.00 -0.270 N ATOM 40 C LIG 1 -8.095 2.699 -2.675 0.00 0.00 +0.172 C ATOM 41 C LIG 1 -9.258 -0.102 -2.292 0.00 0.00 +0.066 C ATOM 42 C LIG 1 -6.656 -1.892 -1.732 0.00 0.00 +0.013 A ATOM 43 N LIG 1 -5.990 1.618 -2.264 0.00 0.00 -0.171 NA ATOM 44 C LIG 1 -5.332 -2.344 -1.546 0.00 0.00 +0.024 A ENDBRANCH 32 34 ENDBRANCH 28 32 ENDBRANCH 24 26 ENDBRANCH 2 24 TORSDOF 7