REMARK Name = BDB010626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.380 -2.355 0.335 0.00 0.00 +0.102 A ATOM 2 C LIG 1 -0.329 -1.814 -0.398 0.00 0.00 +0.115 A ATOM 3 C LIG 1 0.274 -2.591 -1.378 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.317 -1.947 -1.969 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.372 -0.776 -1.385 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.108 -3.837 -1.702 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.149 -4.261 -0.973 0.00 0.00 +0.202 A ATOM 8 N LIG 1 0.350 -0.616 -0.467 0.00 0.00 -0.308 N ATOM 9 N LIG 1 -1.793 -3.601 0.009 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -1.468 -0.678 5.064 0.00 0.00 +0.045 C ATOM 11 C LIG 1 -2.109 -0.875 3.727 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -1.433 -1.518 2.685 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -2.061 -1.718 1.447 0.00 0.00 +0.021 A ATOM 14 C LIG 1 -3.383 -1.296 1.341 0.00 0.00 +0.120 A ATOM 15 N LIG 1 -4.070 -0.668 2.325 0.00 0.00 -0.262 NA ATOM 16 C LIG 1 -3.421 -0.482 3.495 0.00 0.00 +0.114 A ENDBRANCH 1 13 BRANCH 7 17 ATOM 17 C LIG 1 -1.628 -5.624 -1.296 0.00 0.00 +0.220 A ATOM 18 N LIG 1 -1.013 -6.323 -2.265 0.00 0.00 -0.269 N ATOM 19 H LIG 1 -0.232 -6.028 -2.828 0.00 0.00 +0.174 HD ATOM 20 C LIG 1 -1.638 -7.504 -2.350 0.00 0.00 +0.440 A ATOM 21 O LIG 1 -1.359 -8.408 -3.121 0.00 0.00 -0.221 OA ATOM 22 O LIG 1 -2.648 -7.529 -1.421 0.00 0.00 -0.295 OA ATOM 23 N LIG 1 -2.607 -6.265 -0.746 0.00 0.00 -0.051 NA ENDBRANCH 7 17 BRANCH 5 24 ATOM 24 N LIG 1 2.277 0.212 -1.618 0.00 0.00 -0.289 N ATOM 25 C LIG 1 3.643 -0.075 -1.074 0.00 0.00 +0.132 C ATOM 26 C LIG 1 4.775 0.447 -2.006 0.00 0.00 +0.187 C ATOM 27 O LIG 1 4.535 1.743 -2.569 0.00 0.00 -0.376 OA ATOM 28 C LIG 1 3.234 1.873 -3.160 0.00 0.00 +0.179 C ATOM 29 C LIG 1 2.336 0.634 -3.033 0.00 0.00 +0.136 C BRANCH 25 30 ATOM 30 C LIG 1 3.739 0.477 0.344 0.00 0.00 -0.025 A ATOM 31 C LIG 1 3.827 1.854 0.600 0.00 0.00 +0.005 A ATOM 32 C LIG 1 3.884 2.334 1.910 0.00 0.00 +0.000 A ATOM 33 C LIG 1 3.850 1.446 2.982 0.00 0.00 +0.000 A ATOM 34 C LIG 1 3.755 0.076 2.747 0.00 0.00 +0.000 A ATOM 35 C LIG 1 3.697 -0.406 1.438 0.00 0.00 +0.005 A ENDBRANCH 25 30 ENDBRANCH 5 24 BRANCH 8 36 ATOM 36 C LIG 1 0.057 0.619 0.237 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 -0.526 1.748 -0.639 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -0.745 3.022 0.204 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -2.171 3.123 0.736 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -3.212 3.172 -0.399 0.00 0.00 -0.014 C ATOM 41 C LIG 1 -3.642 4.608 -0.701 0.00 0.00 +0.007 C ATOM 42 C LIG 1 -2.714 2.488 -1.684 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -1.812 1.303 -1.364 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 6