REMARK Name = BDB035765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.495 0.906 -0.509 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -1.706 1.605 -0.521 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.965 2.769 -0.280 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.750 0.645 -0.901 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -4.108 0.861 -1.050 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.912 -0.226 -1.418 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.316 -1.495 -1.622 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.930 -1.698 -1.468 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -2.161 -0.597 -1.101 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.689 -0.497 -0.859 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.233 1.079 0.094 0.00 0.00 -0.032 A ATOM 12 C LIG 1 1.927 0.615 -0.208 0.00 0.00 +0.028 A ATOM 13 C LIG 1 0.788 1.440 -0.206 0.00 0.00 +0.037 A ATOM 14 C LIG 1 0.972 2.788 0.104 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.240 3.290 0.399 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.350 2.447 0.393 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 6.318 -0.498 -0.918 0.00 0.00 +0.120 C ATOM 18 C LIG 1 4.824 -0.571 -1.296 0.00 0.00 +0.051 C ATOM 19 C LIG 1 4.478 0.068 0.095 0.00 0.00 +0.060 C ATOM 20 C LIG 1 5.939 0.626 0.074 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 4.282 -1.015 1.245 0.00 0.00 +0.144 A ATOM 22 N LIG 1 4.125 -0.793 2.586 0.00 0.00 -0.320 N ATOM 23 C LIG 1 4.096 0.464 3.282 0.00 0.00 +0.151 C ATOM 24 C LIG 1 3.981 -2.021 3.156 0.00 0.00 +0.224 A ATOM 25 N LIG 1 4.048 -2.945 2.227 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 4.234 -2.312 1.022 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 8.590 -0.098 -1.663 0.00 0.00 +0.194 C ATOM 28 O LIG 1 7.208 -0.120 -1.990 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.299 -3.048 -1.680 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.313 -3.014 -2.618 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.720 -3.526 -0.546 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.177 -4.004 -2.088 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -6.405 -0.050 -1.579 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -7.183 -0.621 -0.480 0.00 0.00 -0.310 NA ATOM 35 H LIG 1 -6.912 -1.595 -0.355 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.072 0.089 0.801 0.00 0.00 +0.048 C ATOM 37 C LIG 1 -7.774 -0.753 1.871 0.00 0.00 +0.023 C ATOM 38 C LIG 1 -7.707 1.480 0.751 0.00 0.00 +0.023 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8