REMARK Name = BDB047526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.160 -2.138 -2.061 0.00 0.00 +0.100 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.474 -2.373 -1.413 0.00 0.00 +0.086 A ATOM 3 C LIG 1 1.955 -3.492 -0.768 0.00 0.00 +0.126 A ATOM 4 C LIG 1 1.430 -4.833 -0.461 0.00 0.00 +0.088 C ATOM 5 O LIG 1 3.221 -3.214 -0.334 0.00 0.00 -0.440 OA ATOM 6 C LIG 1 3.449 -1.926 -0.745 0.00 0.00 +0.228 A ATOM 7 N LIG 1 2.432 -1.384 -1.389 0.00 0.00 -0.214 NA BRANCH 6 8 ATOM 8 C LIG 1 4.749 -1.348 -0.417 0.00 0.00 +0.037 A ATOM 9 C LIG 1 5.046 -0.039 -0.818 0.00 0.00 +0.014 A ATOM 10 C LIG 1 6.284 0.543 -0.516 0.00 0.00 +0.009 A ATOM 11 C LIG 1 7.263 -0.167 0.195 0.00 0.00 -0.018 A ATOM 12 C LIG 1 6.962 -1.478 0.594 0.00 0.00 +0.009 A ATOM 13 C LIG 1 5.723 -2.061 0.293 0.00 0.00 +0.014 A BRANCH 11 14 ATOM 14 C LIG 1 8.564 0.444 0.512 0.00 0.00 -0.018 A ATOM 15 C LIG 1 8.642 1.682 1.171 0.00 0.00 +0.008 A ATOM 16 C LIG 1 9.877 2.262 1.473 0.00 0.00 +0.001 A ATOM 17 C LIG 1 11.057 1.614 1.120 0.00 0.00 +0.000 A ATOM 18 C LIG 1 11.003 0.386 0.465 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.767 -0.194 0.165 0.00 0.00 +0.008 A ENDBRANCH 11 14 ENDBRANCH 6 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -0.694 -1.141 -1.284 0.00 0.00 +0.235 C BRANCH 20 21 ATOM 21 O LIG 1 -1.972 -1.062 -1.919 0.00 0.00 -0.492 OA BRANCH 21 26 ATOM 22 C LIG 1 -6.196 2.162 -0.021 0.00 0.00 +0.033 C ATOM 23 C LIG 1 -4.947 1.389 -0.374 0.00 0.00 -0.040 A ATOM 24 C LIG 1 -5.144 0.603 -1.513 0.00 0.00 -0.040 A ATOM 25 C LIG 1 -4.138 -0.215 -2.002 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -2.898 -0.225 -1.355 0.00 0.00 +0.121 A ATOM 27 C LIG 1 -2.690 0.590 -0.231 0.00 0.00 +0.046 A ATOM 28 C LIG 1 -6.524 0.782 -2.057 0.00 0.00 +0.036 C ATOM 29 C LIG 1 -3.717 1.405 0.263 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -6.910 2.116 -1.401 0.00 0.00 +0.013 C BRANCH 22 31 ATOM 31 C LIG 1 -7.044 1.516 1.101 0.00 0.00 +0.105 C BRANCH 31 33 ATOM 32 C LIG 1 -7.150 0.784 3.549 0.00 0.00 +0.004 C ATOM 33 C LIG 1 -6.322 1.460 2.460 0.00 0.00 +0.012 C ENDBRANCH 31 33 BRANCH 31 34 ATOM 34 C LIG 1 -8.306 2.336 1.262 0.00 0.00 +0.308 C ATOM 35 O LIG 1 -8.375 3.530 1.500 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -9.425 1.601 1.117 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -10.153 2.243 1.257 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 22 31 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 10