REMARK Name = BDB059883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.809 -0.848 -2.087 0.00 0.00 +0.265 C ATOM 2 N LIG 1 1.901 0.145 -1.699 0.00 0.00 -0.295 N ATOM 3 C LIG 1 1.940 0.864 -0.416 0.00 0.00 +0.130 C ATOM 4 C LIG 1 0.588 1.502 -0.024 0.00 0.00 +0.090 C ATOM 5 C LIG 1 0.068 2.421 -1.142 0.00 0.00 +0.025 C ATOM 6 C LIG 1 0.513 1.995 -2.543 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.840 0.511 -2.635 0.00 0.00 +0.108 C ATOM 8 O LIG 1 2.610 -1.540 -3.091 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 6.479 -1.507 0.004 0.00 0.00 +0.052 A ATOM 10 C LIG 1 5.695 -0.369 0.185 0.00 0.00 +0.134 A ATOM 11 N LIG 1 4.514 -0.144 -0.449 0.00 0.00 -0.249 NA ATOM 12 C LIG 1 4.078 -1.095 -1.313 0.00 0.00 +0.126 A ATOM 13 C LIG 1 4.798 -2.263 -1.562 0.00 0.00 +0.035 A ATOM 14 C LIG 1 6.004 -2.471 -0.889 0.00 0.00 +0.027 A BRANCH 9 16 ATOM 15 C LIG 1 8.354 -0.923 1.531 0.00 0.00 +0.241 C ATOM 16 N LIG 1 7.713 -1.753 0.642 0.00 0.00 -0.281 N ATOM 17 H LIG 1 8.186 -2.607 0.379 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 7.972 0.179 1.905 0.00 0.00 -0.271 OA BRANCH 15 20 ATOM 19 C LIG 1 10.092 -2.693 2.072 0.00 0.00 +0.013 C ATOM 20 C LIG 1 9.666 -1.422 2.035 0.00 0.00 +0.060 C ENDBRANCH 15 20 ENDBRANCH 9 16 ENDBRANCH 1 12 BRANCH 4 21 ATOM 21 N LIG 1 -0.398 0.452 0.242 0.00 0.00 -0.319 N ATOM 22 H LIG 1 -0.092 -0.492 0.015 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -1.296 0.516 1.251 0.00 0.00 +0.159 A ATOM 24 S LIG 1 -1.898 1.980 1.940 0.00 0.00 -0.046 S ATOM 25 C LIG 1 -2.931 1.087 2.962 0.00 0.00 +0.067 A ATOM 26 C LIG 1 -2.741 -0.259 2.737 0.00 0.00 +0.135 A ATOM 27 N LIG 1 -1.800 -0.578 1.774 0.00 0.00 -0.232 NA BRANCH 25 28 ATOM 28 S LIG 1 -4.044 1.812 4.106 0.00 0.00 -0.107 S BRANCH 28 29 ATOM 29 C LIG 1 -5.235 2.607 2.977 0.00 0.00 +0.170 C BRANCH 29 30 ATOM 30 C LIG 1 -5.987 1.620 2.158 0.00 0.00 +0.206 A ATOM 31 O LIG 1 -5.439 1.285 0.949 0.00 0.00 -0.443 OA ATOM 32 C LIG 1 -6.299 0.355 0.427 0.00 0.00 +0.131 A ATOM 33 C LIG 1 -7.323 0.198 1.337 0.00 0.00 +0.156 A ATOM 34 N LIG 1 -7.121 1.006 2.426 0.00 0.00 -0.221 NA BRANCH 32 35 ATOM 35 C LIG 1 -5.936 -0.253 -0.899 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -5.487 0.843 -1.883 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -7.144 -0.990 -1.508 0.00 0.00 +0.019 C ATOM 38 C LIG 1 -4.791 -1.259 -0.697 0.00 0.00 +0.019 C ENDBRANCH 32 35 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 23 ENDBRANCH 4 21 TORSDOF 9