REMARK Name = BDB010946 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.724 -0.275 -1.928 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.615 -0.969 -1.436 0.00 0.00 +0.020 A ATOM 3 C LIG 1 1.370 -0.332 -1.338 0.00 0.00 +0.066 A ATOM 4 C LIG 1 1.207 0.999 -1.728 0.00 0.00 +0.090 A ATOM 5 N LIG 1 -0.038 1.630 -1.640 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 -1.042 0.945 -1.200 0.00 0.00 +0.209 A ATOM 7 N LIG 1 -1.007 -0.361 -0.774 0.00 0.00 -0.251 N ATOM 8 C LIG 1 2.311 1.706 -2.225 0.00 0.00 +0.081 A ATOM 9 C LIG 1 0.200 -1.062 -0.792 0.00 0.00 +0.267 A ATOM 10 O LIG 1 0.412 -2.186 -0.342 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 3.560 1.062 -2.320 0.00 0.00 +0.019 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.200 -1.017 -0.327 0.00 0.00 +0.142 A ATOM 13 N LIG 1 -2.293 -2.353 -0.471 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 -3.417 -2.973 -0.066 0.00 0.00 +0.113 A ATOM 15 C LIG 1 -4.498 -2.310 0.481 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -4.460 -0.917 0.646 0.00 0.00 -0.029 A ATOM 17 C LIG 1 -3.266 -0.291 0.226 0.00 0.00 +0.051 A BRANCH 16 18 ATOM 18 C LIG 1 -5.711 -0.131 1.298 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -5.923 -0.365 2.841 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -5.134 0.943 3.088 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -5.595 1.804 4.247 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -5.585 1.387 1.676 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 -7.017 -0.426 0.456 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -7.365 0.098 -0.759 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -6.634 1.048 -1.550 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -8.552 -0.478 -1.090 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -8.913 -1.313 -0.143 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.942 -1.286 0.829 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 16 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 2.164 3.144 -2.652 0.00 0.00 +0.419 C ATOM 30 F LIG 1 1.269 3.318 -3.664 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.332 3.681 -3.119 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.772 3.972 -1.643 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 5.077 -0.949 -2.032 0.00 0.00 +0.119 C BRANCH 33 41 ATOM 34 C LIG 1 6.693 -0.041 2.574 0.00 0.00 +0.015 C ATOM 35 C LIG 1 7.052 -0.419 1.137 0.00 0.00 +0.069 C ATOM 36 C LIG 1 8.110 0.501 0.555 0.00 0.00 +0.254 C ATOM 37 F LIG 1 9.229 0.462 1.327 0.00 0.00 -0.205 F ATOM 38 F LIG 1 7.674 1.788 0.596 0.00 0.00 -0.205 F ATOM 39 C LIG 1 8.491 0.138 -0.872 0.00 0.00 +0.091 C ATOM 40 C LIG 1 7.445 -0.752 -1.540 0.00 0.00 +0.090 C ATOM 41 N LIG 1 6.100 -0.298 -1.201 0.00 0.00 -0.298 NA ATOM 42 C LIG 1 5.806 -0.405 0.239 0.00 0.00 +0.093 C ENDBRANCH 33 41 ENDBRANCH 1 33 TORSDOF 6