REMARK Name = BDB035547 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.337 -1.367 -0.568 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.291 -0.191 -0.148 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.165 0.864 0.254 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.738 -0.413 -0.257 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.765 0.464 0.042 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.079 0.019 -0.141 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.309 -1.298 -0.606 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -3.252 -2.181 -0.904 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.957 -1.706 -0.721 0.00 0.00 -0.009 A ATOM 10 C LIG 1 -0.642 -2.378 -0.949 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.080 -0.826 -0.339 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.678 -0.622 -0.287 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.738 -1.605 -0.636 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.228 -2.846 -1.060 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.599 -3.092 -1.124 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.506 -2.096 -0.766 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 5.098 0.346 0.076 0.00 0.00 +0.057 C ATOM 18 C LIG 1 4.952 0.867 1.569 0.00 0.00 +0.030 C ATOM 19 C LIG 1 6.450 0.898 1.638 0.00 0.00 +0.020 C ATOM 20 C LIG 1 7.179 2.209 1.625 0.00 0.00 +0.169 C ATOM 21 O LIG 1 8.022 1.750 2.727 0.00 0.00 -0.379 OA ATOM 22 C LIG 1 7.165 0.585 2.911 0.00 0.00 +0.169 C ATOM 23 C LIG 1 6.587 -0.028 0.458 0.00 0.00 +0.030 C BRANCH 17 26 ATOM 24 C LIG 1 5.385 0.285 -3.158 0.00 0.00 +0.151 C ATOM 25 N LIG 1 5.197 1.455 -2.347 0.00 0.00 -0.320 N ATOM 26 C LIG 1 5.066 1.534 -0.987 0.00 0.00 +0.144 A ATOM 27 N LIG 1 4.953 2.803 -0.649 0.00 0.00 -0.134 NA ATOM 28 N LIG 1 4.998 3.558 -1.794 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 5.137 2.735 -2.806 0.00 0.00 +0.224 A ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -3.549 -3.582 -1.360 0.00 0.00 +0.372 C ATOM 31 F LIG 1 -4.476 -3.624 -2.357 0.00 0.00 -0.204 F ATOM 32 F LIG 1 -2.456 -4.235 -1.849 0.00 0.00 -0.204 F ENDBRANCH 8 30 BRANCH 6 33 ATOM 33 C LIG 1 -5.250 0.923 0.177 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -5.915 0.469 1.399 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -5.251 0.532 2.171 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.178 1.179 1.646 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.921 0.389 2.765 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -9.195 0.489 1.899 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -8.273 0.657 0.673 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -7.045 2.672 1.880 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7