REMARK Name = BDB031210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.607 -1.896 -1.507 0.00 0.00 +0.039 A ATOM 2 C LIG 1 3.462 -2.426 -0.898 0.00 0.00 +0.043 A ATOM 3 C LIG 1 2.387 -1.568 -0.615 0.00 0.00 +0.091 A ATOM 4 N LIG 1 1.211 -1.866 0.007 0.00 0.00 -0.227 NA ATOM 5 C LIG 1 0.514 -0.745 0.037 0.00 0.00 +0.147 A ATOM 6 N LIG 1 1.231 0.309 -0.541 0.00 0.00 -0.292 N ATOM 7 C LIG 1 2.447 -0.223 -0.967 0.00 0.00 +0.074 A ATOM 8 C LIG 1 3.597 0.328 -1.557 0.00 0.00 +0.029 A ATOM 9 C LIG 1 4.664 -0.535 -1.833 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.812 1.666 -0.676 0.00 0.00 +0.051 A ATOM 11 C LIG 1 0.112 2.291 0.370 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -0.277 3.594 0.164 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.000 4.279 -1.017 0.00 0.00 +0.067 A ATOM 14 N LIG 1 -0.525 5.560 -0.903 0.00 0.00 -0.306 N ATOM 15 H LIG 1 -0.498 6.299 -1.586 0.00 0.00 +0.170 HD ATOM 16 C LIG 1 -1.135 5.687 0.354 0.00 0.00 +0.325 A ATOM 17 O LIG 1 -1.696 6.674 0.795 0.00 0.00 -0.247 OA ATOM 18 C LIG 1 0.681 3.697 -2.058 0.00 0.00 +0.030 A ATOM 19 N LIG 1 -0.970 4.456 1.006 0.00 0.00 -0.306 N ATOM 20 H LIG 1 -1.325 4.262 1.928 0.00 0.00 +0.170 HD ATOM 21 C LIG 1 1.091 2.369 -1.879 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 5 22 ATOM 22 C LIG 1 -0.873 -0.680 0.522 0.00 0.00 +0.029 A ATOM 23 C LIG 1 -1.204 -0.940 1.873 0.00 0.00 +0.011 A ATOM 24 C LIG 1 -2.563 -0.825 2.230 0.00 0.00 +0.072 A ATOM 25 C LIG 1 -2.933 -1.052 3.549 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -2.000 -1.393 4.531 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -0.661 -1.515 4.192 0.00 0.00 +0.001 A ATOM 28 N LIG 1 -3.525 -0.495 1.352 0.00 0.00 -0.245 NA ATOM 29 C LIG 1 -3.190 -0.277 0.064 0.00 0.00 +0.090 A ATOM 30 C LIG 1 -0.264 -1.290 2.875 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -1.886 -0.364 -0.390 0.00 0.00 +0.042 A BRANCH 29 32 ATOM 32 C LIG 1 -4.291 0.090 -0.821 0.00 0.00 +0.087 A ATOM 33 N LIG 1 -5.633 -0.171 -0.620 0.00 0.00 -0.332 N ATOM 34 C LIG 1 -6.239 -0.884 0.478 0.00 0.00 +0.150 C ATOM 35 C LIG 1 -6.330 0.339 -1.681 0.00 0.00 +0.199 A ATOM 36 N LIG 1 -5.537 0.908 -2.555 0.00 0.00 -0.243 NA ATOM 37 C LIG 1 -4.280 0.765 -2.033 0.00 0.00 +0.140 A ENDBRANCH 29 32 ENDBRANCH 5 22 BRANCH 1 41 ATOM 38 C LIG 1 7.130 -4.707 -1.248 0.00 0.00 +0.128 C ATOM 39 N LIG 1 5.961 -3.882 -1.072 0.00 0.00 -0.314 N ATOM 40 H LIG 1 5.449 -3.974 -0.205 0.00 0.00 +0.149 HD ATOM 41 C LIG 1 5.783 -2.748 -1.839 0.00 0.00 +0.244 C ATOM 42 O LIG 1 6.551 -2.410 -2.732 0.00 0.00 -0.270 OA ENDBRANCH 1 41 TORSDOF 4