REMARK Name = BDB032117 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.436 -1.430 0.954 0.00 0.00 +0.022 A ATOM 2 C LIG 1 -1.383 -2.268 1.531 0.00 0.00 +0.123 A ATOM 3 N LIG 1 -2.725 -2.110 1.410 0.00 0.00 -0.239 NA ATOM 4 C LIG 1 -3.176 -1.076 0.684 0.00 0.00 +0.125 A ATOM 5 C LIG 1 -2.307 -0.182 0.067 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.927 -0.361 0.204 0.00 0.00 +0.015 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 3.138 -1.608 1.106 0.00 0.00 -0.248 N ATOM 8 N LIG 1 2.796 -2.672 1.848 0.00 0.00 -0.065 NA ATOM 9 N LIG 1 1.472 -2.729 1.878 0.00 0.00 -0.129 NA ATOM 10 C LIG 1 0.978 -1.682 1.141 0.00 0.00 +0.114 A ATOM 11 C LIG 1 2.033 -0.953 0.638 0.00 0.00 +0.139 A BRANCH 7 17 ATOM 12 C LIG 1 8.126 2.073 -1.444 0.00 0.00 +0.239 C ATOM 13 N LIG 1 7.169 1.469 -0.670 0.00 0.00 -0.297 N ATOM 14 C LIG 1 7.183 0.124 -0.079 0.00 0.00 +0.116 C ATOM 15 C LIG 1 5.681 0.195 -0.152 0.00 0.00 +0.006 C ATOM 16 C LIG 1 4.913 -1.018 -0.623 0.00 0.00 +0.037 C ATOM 17 C LIG 1 4.549 -1.255 0.869 0.00 0.00 +0.110 C ATOM 18 C LIG 1 4.899 0.234 1.146 0.00 0.00 +0.037 C ATOM 19 C LIG 1 5.739 1.424 -1.006 0.00 0.00 +0.116 C ATOM 20 O LIG 1 7.866 2.835 -2.371 0.00 0.00 -0.271 OA BRANCH 12 22 ATOM 21 C LIG 1 10.044 1.616 0.085 0.00 0.00 +0.013 C ATOM 22 C LIG 1 9.544 1.744 -1.151 0.00 0.00 +0.060 C ENDBRANCH 12 22 ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 4 23 ATOM 23 N LIG 1 -4.544 -0.856 0.519 0.00 0.00 -0.265 N ATOM 24 H LIG 1 -4.845 -0.064 -0.036 0.00 0.00 +0.157 HD ATOM 25 C LIG 1 -5.565 -1.620 1.044 0.00 0.00 +0.268 C ATOM 26 O LIG 1 -5.481 -2.621 1.743 0.00 0.00 -0.268 OA BRANCH 25 27 ATOM 27 C LIG 1 -6.920 -1.097 0.668 0.00 0.00 +0.126 A ATOM 28 N LIG 1 -6.936 0.023 -0.114 0.00 0.00 -0.242 NA ATOM 29 C LIG 1 -8.152 0.509 -0.463 0.00 0.00 +0.076 A ATOM 30 C LIG 1 -9.345 -0.086 -0.058 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -9.296 -1.229 0.740 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.063 -1.748 1.112 0.00 0.00 +0.033 A BRANCH 29 33 ATOM 33 C LIG 1 -8.149 1.697 -1.292 0.00 0.00 +0.059 A ATOM 34 C LIG 1 -7.016 2.342 -1.733 0.00 0.00 +0.240 A ATOM 35 O LIG 1 -7.356 3.417 -2.486 0.00 0.00 -0.362 OA ATOM 36 N LIG 1 -8.736 3.506 -2.559 0.00 0.00 -0.086 NA ATOM 37 C LIG 1 -9.191 2.474 -1.843 0.00 0.00 +0.166 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 4 23 TORSDOF 6