REMARK Name = BDB025076 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.738 1.073 -0.334 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.801 0.027 -0.345 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.310 -1.312 -0.713 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.190 -1.902 0.402 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.226 -2.347 -1.056 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.077 -1.696 -1.795 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.506 -0.641 -0.891 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.116 -0.453 -0.743 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.091 -1.150 -1.324 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.026 -0.620 -0.870 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -0.753 0.444 -0.023 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.622 0.542 0.093 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.476 1.370 0.824 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.856 1.180 0.670 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.386 0.208 -0.187 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.949 0.901 -0.461 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.743 1.329 0.591 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.767 1.245 2.124 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.705 2.304 2.696 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.252 3.735 2.357 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -1.381 3.830 1.097 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.699 2.772 0.045 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -1.479 4.336 3.520 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.744 3.702 4.261 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.643 5.672 3.638 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.244 6.072 2.982 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.142 3.388 -0.279 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.194 2.321 -0.240 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.402 -1.122 -1.236 0.00 0.00 +0.073 C ATOM 30 C LIG 1 -2.961 -0.290 -2.396 0.00 0.00 +0.017 C BRANCH 29 31 ATOM 31 C LIG 1 -2.334 -2.618 -1.594 0.00 0.00 +0.154 C BRANCH 31 32 ATOM 32 N LIG 1 -3.627 -3.274 -1.499 0.00 0.00 -0.271 N ATOM 33 N LIG 1 -4.493 -3.220 -2.527 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 -5.539 -3.929 -2.096 0.00 0.00 +0.137 A ATOM 35 C LIG 1 -5.354 -4.437 -0.791 0.00 0.00 -0.013 A ATOM 36 C LIG 1 -6.291 -5.267 -0.004 0.00 0.00 +0.047 C ATOM 37 C LIG 1 -4.099 -3.989 -0.435 0.00 0.00 +0.111 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7