REMARK Name = BDB034208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.206 -0.821 2.092 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.053 -1.236 1.060 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -2.251 -0.565 0.894 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -3.328 -0.775 -0.113 0.00 0.00 +0.145 C ATOM 5 N LIG 1 -4.316 0.238 0.238 0.00 0.00 -0.279 N ATOM 6 C LIG 1 -3.904 0.989 1.338 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -4.475 1.906 1.896 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.594 0.476 1.750 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -1.786 0.886 2.795 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -0.574 0.215 2.970 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.601 0.399 -0.493 0.00 0.00 +0.116 C ATOM 12 C LIG 1 -5.847 -0.605 -1.768 0.00 0.00 +0.243 C ATOM 13 O LIG 1 -5.098 -1.469 -2.222 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.076 -0.394 -2.369 0.00 0.00 -0.254 N ATOM 15 H LIG 1 -7.320 -0.957 -3.171 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.969 0.575 -1.959 0.00 0.00 +0.223 C ATOM 17 O LIG 1 -9.034 0.738 -2.549 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.446 1.382 -0.713 0.00 0.00 +0.080 C ATOM 19 C LIG 1 -5.972 1.886 -0.866 0.00 0.00 +0.048 C ATOM 20 C LIG 1 -6.878 0.475 0.429 0.00 0.00 +0.048 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 O LIG 1 0.958 -1.519 2.257 0.00 0.00 -0.487 OA BRANCH 21 23 ATOM 22 C LIG 1 3.021 -1.178 0.948 0.00 0.00 +0.097 C ATOM 23 C LIG 1 2.132 -0.699 2.126 0.00 0.00 +0.190 C ATOM 24 C LIG 1 3.027 -0.975 3.335 0.00 0.00 +0.046 C ATOM 25 C LIG 1 3.798 -2.251 2.988 0.00 0.00 +0.005 C ATOM 26 C LIG 1 3.565 -2.506 1.498 0.00 0.00 +0.023 C BRANCH 22 29 ATOM 27 C LIG 1 3.114 -0.106 -1.899 0.00 0.00 +0.048 C ATOM 28 C LIG 1 3.280 -1.579 -1.441 0.00 0.00 +0.094 C ATOM 29 N LIG 1 2.327 -1.361 -0.338 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 1.911 -0.077 -0.927 0.00 0.00 +0.094 C BRANCH 27 32 ATOM 31 C LIG 1 5.589 0.697 -2.423 0.00 0.00 +0.058 A ATOM 32 C LIG 1 4.369 0.893 -1.720 0.00 0.00 -0.024 A ATOM 33 C LIG 1 4.315 2.030 -0.880 0.00 0.00 +0.008 A ATOM 34 C LIG 1 5.402 2.896 -0.725 0.00 0.00 +0.039 A ATOM 35 C LIG 1 6.576 2.651 -1.418 0.00 0.00 +0.125 A ATOM 36 F LIG 1 7.617 3.479 -1.270 0.00 0.00 -0.205 F ATOM 37 C LIG 1 6.681 1.563 -2.268 0.00 0.00 +0.057 A BRANCH 31 39 ATOM 38 N LIG 1 5.839 -1.302 -4.061 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 5.731 -0.406 -3.332 0.00 0.00 +0.100 C ENDBRANCH 31 39 ENDBRANCH 27 32 ENDBRANCH 22 29 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6