REMARK Name = BDB034514 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.770 -1.310 1.033 0.00 0.00 +0.121 A ATOM 2 C LIG 1 3.132 -1.440 1.345 0.00 0.00 +0.051 A ATOM 3 C LIG 1 4.045 -0.627 0.697 0.00 0.00 -0.015 A ATOM 4 C LIG 1 5.529 -0.574 0.817 0.00 0.00 +0.144 C ATOM 5 N LIG 1 5.880 0.545 -0.049 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.784 1.011 -0.761 0.00 0.00 +0.248 C ATOM 7 O LIG 1 4.756 1.833 -1.656 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.609 0.300 -0.243 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.278 0.455 -0.574 0.00 0.00 +0.017 A ATOM 10 C LIG 1 1.349 -0.362 0.080 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 7.268 0.829 -0.397 0.00 0.00 +0.163 C ATOM 12 C LIG 1 7.703 0.034 -1.638 0.00 0.00 +0.240 C ATOM 13 O LIG 1 7.260 -1.077 -1.923 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 8.729 0.581 -2.375 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.036 0.041 -3.172 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 9.458 1.710 -2.097 0.00 0.00 +0.219 C ATOM 17 O LIG 1 10.444 2.007 -2.766 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 9.043 2.503 -0.880 0.00 0.00 +0.098 C ATOM 19 C LIG 1 7.564 2.317 -0.580 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 O LIG 1 0.954 -2.154 1.738 0.00 0.00 -0.487 OA BRANCH 20 22 ATOM 21 C LIG 1 -1.258 -1.147 2.119 0.00 0.00 +0.097 C ATOM 22 C LIG 1 -0.432 -2.222 1.371 0.00 0.00 +0.190 C ATOM 23 C LIG 1 -0.980 -3.542 1.914 0.00 0.00 +0.046 C ATOM 24 C LIG 1 -1.312 -3.268 3.378 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -1.407 -1.749 3.529 0.00 0.00 +0.023 C BRANCH 21 28 ATOM 26 C LIG 1 -4.510 -0.345 1.555 0.00 0.00 +0.020 C ATOM 27 C LIG 1 -3.185 0.356 1.957 0.00 0.00 +0.090 C ATOM 28 N LIG 1 -2.460 -0.780 1.353 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -3.648 -1.637 1.519 0.00 0.00 +0.090 C BRANCH 26 33 ATOM 30 C LIG 1 -6.485 1.322 -1.931 0.00 0.00 +0.118 C ATOM 31 C LIG 1 -5.205 0.522 -2.216 0.00 0.00 +0.032 C ATOM 32 C LIG 1 -4.387 0.193 -0.963 0.00 0.00 +0.006 C ATOM 33 C LIG 1 -5.268 0.081 0.285 0.00 0.00 -0.005 C ATOM 34 C LIG 1 -6.005 1.408 0.555 0.00 0.00 +0.006 C ATOM 35 C LIG 1 -6.298 2.217 -0.709 0.00 0.00 +0.032 C BRANCH 30 37 ATOM 36 C LIG 1 -7.336 1.438 -4.153 0.00 0.00 +0.194 C ATOM 37 O LIG 1 -6.827 2.159 -3.039 0.00 0.00 -0.380 OA ENDBRANCH 30 37 ENDBRANCH 26 33 ENDBRANCH 21 28 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6