REMARK Name = BDB010494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.964 -0.119 1.461 0.00 0.00 +0.160 A ATOM 2 N LIG 1 0.796 -0.183 0.713 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.156 -0.825 1.481 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.460 -0.990 2.710 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.135 -1.510 3.792 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.412 -1.843 3.562 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.089 -1.727 2.397 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.477 -1.233 1.308 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.750 -0.554 2.687 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 16 ATOM 10 C LIG 1 5.083 0.459 -0.543 0.00 0.00 -0.038 A ATOM 11 C LIG 1 5.519 1.605 0.015 0.00 0.00 +0.074 A ATOM 12 C LIG 1 4.768 2.240 1.128 0.00 0.00 +0.249 A ATOM 13 O LIG 1 5.166 3.274 1.650 0.00 0.00 -0.268 OA ATOM 14 N LIG 1 3.618 1.603 1.511 0.00 0.00 -0.320 N ATOM 15 H LIG 1 3.123 1.996 2.303 0.00 0.00 +0.169 HD ATOM 16 C LIG 1 3.158 0.446 0.940 0.00 0.00 +0.085 A ATOM 17 C LIG 1 3.857 -0.148 -0.041 0.00 0.00 +0.033 A BRANCH 10 19 ATOM 18 C LIG 1 5.004 -0.291 -2.958 0.00 0.00 +0.012 C ATOM 19 C LIG 1 5.839 -0.211 -1.676 0.00 0.00 +0.013 C ATOM 20 C LIG 1 6.365 -1.594 -1.281 0.00 0.00 +0.012 C ENDBRANCH 10 19 ENDBRANCH 1 16 BRANCH 6 21 ATOM 21 C LIG 1 -2.196 -2.424 4.709 0.00 0.00 +0.375 C ATOM 22 O LIG 1 -3.355 -2.807 4.681 0.00 0.00 -0.242 OA BRANCH 21 23 ATOM 23 O LIG 1 -1.490 -2.505 5.861 0.00 0.00 -0.475 OA ATOM 24 H LIG 1 -2.119 -2.892 6.502 0.00 0.00 +0.296 HD ENDBRANCH 21 23 ENDBRANCH 6 21 BRANCH 8 25 ATOM 25 N LIG 1 -2.139 -1.138 0.093 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.547 -1.437 -0.672 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.526 -1.595 -0.076 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -4.502 -0.749 0.742 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 -3.728 -3.096 0.185 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -2.895 -4.081 -0.686 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -4.100 -4.181 -1.638 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -4.989 -3.739 -0.461 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 0.565 0.410 -0.596 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 -0.318 1.673 -0.573 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -0.749 2.034 -2.009 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -0.929 3.535 -2.247 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.458 4.290 -1.025 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -2.914 3.921 -0.724 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -0.554 4.078 0.203 0.00 0.00 +0.003 C ATOM 40 C LIG 1 0.372 2.861 0.105 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 9