REMARK Name = BDB003914 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.454 -1.295 -1.173 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.712 -0.834 -0.538 0.00 0.00 +0.066 A ATOM 3 C LIG 1 1.853 -0.480 -1.262 0.00 0.00 +0.123 A ATOM 4 N LIG 1 1.868 -0.600 -2.604 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 0.760 -1.060 -3.217 0.00 0.00 +0.114 A ATOM 6 C LIG 1 -0.403 -1.416 -2.558 0.00 0.00 +0.043 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 3.001 -0.043 -0.637 0.00 0.00 -0.314 N ATOM 8 C LIG 1 4.134 0.391 -1.454 0.00 0.00 +0.122 C ATOM 9 C LIG 1 5.179 0.840 -0.399 0.00 0.00 +0.064 C ATOM 10 C LIG 1 6.133 1.839 -1.050 0.00 0.00 +0.227 C ATOM 11 O LIG 1 6.106 2.104 -2.252 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 7.092 2.451 -0.285 0.00 0.00 -0.256 N ATOM 13 H LIG 1 7.639 2.996 -0.945 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 7.976 1.728 0.474 0.00 0.00 +0.219 C ATOM 15 O LIG 1 9.167 1.675 0.186 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 7.406 1.061 1.696 0.00 0.00 +0.096 C ATOM 17 C LIG 1 6.700 -0.257 1.429 0.00 0.00 +0.010 C ATOM 18 C LIG 1 5.963 -0.393 0.098 0.00 0.00 +0.018 C ATOM 19 C LIG 1 4.252 1.491 0.640 0.00 0.00 +0.036 C ATOM 20 C LIG 1 2.999 0.610 0.660 0.00 0.00 +0.107 C ENDBRANCH 3 7 BRANCH 1 25 ATOM 21 C LIG 1 -5.364 -1.202 0.221 0.00 0.00 +0.403 C ATOM 22 N LIG 1 -4.209 -1.787 0.715 0.00 0.00 -0.264 N ATOM 23 C LIG 1 -3.665 -2.938 -0.001 0.00 0.00 +0.130 C ATOM 24 C LIG 1 -2.632 -2.470 -1.047 0.00 0.00 +0.124 C ATOM 25 N LIG 1 -1.579 -1.640 -0.400 0.00 0.00 -0.327 N ATOM 26 C LIG 1 -2.125 -0.502 0.396 0.00 0.00 +0.124 C ATOM 27 C LIG 1 -3.182 -1.005 1.403 0.00 0.00 +0.130 C ATOM 28 O LIG 1 -6.070 -1.721 -0.634 0.00 0.00 -0.226 OA BRANCH 21 29 ATOM 29 O LIG 1 -5.605 0.008 0.786 0.00 0.00 -0.445 OA BRANCH 29 31 ATOM 30 C LIG 1 -8.069 0.075 0.748 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -6.761 0.797 0.405 0.00 0.00 +0.107 C ATOM 32 C LIG 1 -6.697 1.201 -1.072 0.00 0.00 +0.055 C ATOM 33 C LIG 1 -6.664 2.067 1.264 0.00 0.00 +0.055 C ENDBRANCH 29 31 ENDBRANCH 21 29 ENDBRANCH 1 25 TORSDOF 4