REMARK Name = BDB052535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.514 -0.093 0.892 0.00 0.00 +0.084 A ATOM 2 N LIG 1 1.462 0.107 0.069 0.00 0.00 -0.214 NA ATOM 3 C LIG 1 0.259 -0.332 0.469 0.00 0.00 +0.220 A ATOM 4 N LIG 1 0.057 -0.942 1.644 0.00 0.00 -0.223 NA ATOM 5 C LIG 1 1.123 -1.120 2.443 0.00 0.00 +0.116 A ATOM 6 C LIG 1 2.389 -0.712 2.115 0.00 0.00 +0.049 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 6.140 0.768 -0.212 0.00 0.00 +0.159 A ATOM 8 S LIG 1 5.271 -0.386 0.719 0.00 0.00 -0.051 S ATOM 9 C LIG 1 3.789 0.415 0.376 0.00 0.00 +0.062 A ATOM 10 C LIG 1 4.053 1.511 -0.434 0.00 0.00 +0.057 A ATOM 11 C LIG 1 3.072 2.489 -0.977 0.00 0.00 +0.067 C ATOM 12 N LIG 1 5.392 1.703 -0.746 0.00 0.00 -0.230 NA BRANCH 7 13 ATOM 13 N LIG 1 7.483 0.777 -0.386 0.00 0.00 -0.324 N ATOM 14 H LIG 1 7.787 1.477 -1.056 0.00 0.00 +0.148 HD BRANCH 13 16 ATOM 15 C LIG 1 8.974 -0.596 0.970 0.00 0.00 +0.024 C ATOM 16 C LIG 1 8.285 -0.431 -0.374 0.00 0.00 +0.100 C ENDBRANCH 13 16 ENDBRANCH 7 13 ENDBRANCH 1 9 BRANCH 3 17 ATOM 17 N LIG 1 -0.775 -0.098 -0.433 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -0.393 0.339 -1.259 0.00 0.00 +0.155 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.135 -0.421 -0.462 0.00 0.00 +0.034 A ATOM 20 C LIG 1 -2.796 -1.113 0.556 0.00 0.00 +0.023 A ATOM 21 C LIG 1 -4.167 -1.393 0.477 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -4.915 -0.984 -0.631 0.00 0.00 -0.030 A ATOM 23 C LIG 1 -4.270 -0.275 -1.648 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -2.900 -0.001 -1.561 0.00 0.00 +0.023 A BRANCH 22 25 ATOM 25 C LIG 1 -6.393 -1.252 -0.704 0.00 0.00 +0.139 C BRANCH 25 26 ATOM 26 N LIG 1 -7.141 -0.113 -0.227 0.00 0.00 -0.311 N ATOM 27 H LIG 1 -6.675 0.529 0.401 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 -8.510 -0.082 -0.330 0.00 0.00 +0.210 C ATOM 29 O LIG 1 -9.169 -0.958 -0.881 0.00 0.00 -0.276 OA ATOM 30 C LIG 1 -9.151 1.121 0.307 0.00 0.00 +0.109 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 17 19 ENDBRANCH 3 17 TORSDOF 7