REMARK Name = BDB016106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.623 -1.716 0.865 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.398 -1.301 0.495 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.613 -2.190 0.496 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.426 -3.508 0.905 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.871 -3.833 1.262 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.910 -2.973 1.240 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.431 1.632 0.651 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.425 0.656 0.691 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.709 -0.717 0.842 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.061 -1.081 0.959 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.078 -0.122 0.915 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.764 1.229 0.757 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 1.138 6.011 1.074 0.00 0.00 +0.172 C ATOM 14 N LIG 1 2.051 4.960 0.693 0.00 0.00 -0.274 N ATOM 15 N LIG 1 3.086 5.238 -0.123 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 3.729 4.070 -0.221 0.00 0.00 +0.142 A ATOM 17 C LIG 1 3.090 3.033 0.495 0.00 0.00 +0.020 A ATOM 18 C LIG 1 1.998 3.649 1.070 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.490 -4.490 0.977 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -1.380 -5.808 0.581 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -2.602 -6.376 0.806 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -2.987 -7.744 0.553 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -3.504 -5.519 1.313 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -2.823 -4.376 1.432 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.889 -1.723 0.085 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -2.296 -2.416 -0.541 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.097 -0.422 -0.351 0.00 0.00 +0.039 C ATOM 28 C LIG 1 -1.444 0.276 -1.558 0.00 0.00 +0.049 C ATOM 29 C LIG 1 -2.418 1.345 -0.967 0.00 0.00 +0.045 C ATOM 30 C LIG 1 -1.909 0.888 0.436 0.00 0.00 +0.049 C ATOM 31 C LIG 1 -3.438 0.163 -0.843 0.00 0.00 +0.049 C BRANCH 29 32 ATOM 32 N LIG 1 -2.666 2.678 -1.447 0.00 0.00 -0.188 NA ATOM 33 H LIG 1 -3.299 2.798 -2.239 0.00 0.00 +0.148 HD BRANCH 32 34 ATOM 34 S LIG 1 -1.708 4.034 -1.212 0.00 0.00 +0.027 S ATOM 35 O LIG 1 -2.364 5.105 -1.928 0.00 0.00 -0.158 OA ATOM 36 O LIG 1 -1.404 4.136 0.198 0.00 0.00 -0.158 OA ATOM 37 C LIG 1 -0.220 3.609 -2.092 0.00 0.00 +0.214 C ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7