REMARK Name = BDB010344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.455 -1.617 0.159 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.407 -0.717 0.268 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.660 -1.227 -0.444 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.166 -2.416 -0.962 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.878 -3.268 -1.712 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 2.131 -2.853 -1.893 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.716 -1.708 -1.435 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.980 -0.847 -0.705 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.135 -2.618 -0.624 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -3.842 -1.800 -0.030 0.00 0.00 +0.076 C ATOM 11 N LIG 1 -2.657 -1.404 0.769 0.00 0.00 -0.298 N ATOM 12 C LIG 1 -2.708 -1.728 2.211 0.00 0.00 +0.108 C ATOM 13 C LIG 1 -3.610 -2.914 2.548 0.00 0.00 +0.019 C ATOM 14 C LIG 1 -3.654 -3.927 1.421 0.00 0.00 +0.003 C ATOM 15 C LIG 1 -4.175 -3.297 0.130 0.00 0.00 +0.022 C BRANCH 10 17 ATOM 16 C LIG 1 -6.135 -0.895 -0.723 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -5.017 -0.856 0.311 0.00 0.00 +0.019 C ENDBRANCH 10 17 ENDBRANCH 1 11 BRANCH 6 18 ATOM 18 C LIG 1 3.028 -3.720 -2.740 0.00 0.00 +0.375 C ATOM 19 O LIG 1 2.744 -4.800 -3.227 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 4.243 -3.127 -2.915 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 4.245 -2.266 -2.438 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 2.500 0.351 -0.267 0.00 0.00 -0.324 N ATOM 23 H LIG 1 1.842 1.112 -0.387 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 3.891 0.792 -0.395 0.00 0.00 +0.072 C ATOM 25 C LIG 1 4.378 0.830 -1.837 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 4.823 0.078 0.599 0.00 0.00 +0.009 C ATOM 27 C LIG 1 5.524 -1.275 0.299 0.00 0.00 +0.005 C ATOM 28 C LIG 1 6.808 -0.497 -0.033 0.00 0.00 +0.001 C ATOM 29 C LIG 1 6.244 0.685 0.771 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 30 ATOM 30 C LIG 1 -0.459 0.516 1.033 0.00 0.00 +0.128 C BRANCH 30 31 ATOM 31 C LIG 1 -1.312 1.634 0.396 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -0.731 2.180 -0.924 0.00 0.00 +0.005 C ATOM 33 C LIG 1 0.108 3.437 -0.713 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -0.714 4.586 -0.100 0.00 0.00 -0.014 C ATOM 35 C LIG 1 -1.234 5.540 -1.176 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -1.880 4.078 0.766 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.536 2.753 1.435 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 9