REMARK Name = BDB025024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.241 -1.284 0.948 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.522 -0.157 0.512 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.157 1.185 0.538 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.261 1.301 -0.529 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.194 2.364 0.326 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.882 2.118 1.035 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.286 0.869 0.457 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.904 0.758 0.193 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.082 1.692 0.375 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.210 1.125 -0.002 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -0.981 -0.167 -0.445 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.373 -0.421 -0.315 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.178 -1.532 -0.577 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.547 -1.419 -0.303 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.116 -0.248 0.214 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.816 -2.432 1.022 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.986 -1.098 -0.955 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.190 -2.310 -0.025 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.788 -3.531 -0.740 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.681 -3.111 -1.912 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.912 -2.323 -2.974 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.740 -1.516 -2.411 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.566 -4.374 0.254 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.782 -4.388 0.351 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.770 -5.112 1.060 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.813 -5.016 0.893 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.277 -2.074 1.827 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.510 -0.968 1.347 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.555 1.807 0.053 0.00 0.00 +0.073 C ATOM 30 C LIG 1 -2.901 2.379 -1.327 0.00 0.00 +0.017 C BRANCH 29 31 ATOM 31 C LIG 1 -2.543 2.904 1.133 0.00 0.00 +0.154 C BRANCH 31 32 ATOM 32 N LIG 1 -3.880 3.321 1.521 0.00 0.00 -0.271 N ATOM 33 N LIG 1 -4.499 4.315 0.858 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 -5.676 4.426 1.479 0.00 0.00 +0.134 A ATOM 35 C LIG 1 -5.813 3.506 2.534 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -4.631 2.803 2.538 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7