REMARK Name = BDB036037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.924 -1.283 0.325 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.365 -2.150 -0.644 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.990 -2.132 -0.949 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.192 -1.227 -0.253 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.278 -0.976 -0.353 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.512 0.084 0.620 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.674 0.453 1.264 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.889 1.277 2.134 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.744 -0.379 0.700 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.092 -0.382 1.008 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.804 0.636 0.843 0.00 0.00 +0.037 A ATOM 12 C LIG 1 2.922 0.153 0.138 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.240 0.649 0.318 0.00 0.00 -0.032 A ATOM 14 C LIG 1 4.386 1.688 1.251 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.296 2.191 1.960 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.019 1.667 1.757 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.466 0.016 -0.516 0.00 0.00 +0.056 C ATOM 18 C LIG 1 5.444 0.304 -2.065 0.00 0.00 +0.024 C ATOM 19 C LIG 1 6.412 1.487 -1.802 0.00 0.00 +0.005 C ATOM 20 C LIG 1 6.866 0.724 -0.532 0.00 0.00 +0.024 C BRANCH 17 21 ATOM 21 C LIG 1 5.601 -1.524 -0.178 0.00 0.00 +0.144 A ATOM 22 N LIG 1 5.862 -2.089 1.040 0.00 0.00 -0.320 N ATOM 23 C LIG 1 6.077 -1.425 2.295 0.00 0.00 +0.151 C ATOM 24 C LIG 1 5.857 -3.435 0.838 0.00 0.00 +0.224 A ATOM 25 N LIG 1 5.608 -3.687 -0.426 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 5.440 -2.483 -1.066 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 C LIG 1 7.494 1.745 -2.842 0.00 0.00 +0.122 C BRANCH 27 28 ATOM 28 C LIG 1 6.924 2.353 -4.051 0.00 0.00 +0.063 C ATOM 29 N LIG 1 6.475 2.842 -5.003 0.00 0.00 -0.197 NA ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 -1.396 -3.056 -1.978 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -2.317 -3.827 -2.617 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.728 -2.381 -2.953 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -0.494 -3.917 -1.434 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 -5.409 -1.321 0.628 0.00 0.00 +0.119 C BRANCH 34 38 ATOM 35 C LIG 1 -7.604 2.251 1.976 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -8.020 1.407 0.768 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -7.447 -0.024 0.848 0.00 0.00 +0.088 C ATOM 38 N LIG 1 -6.089 -0.062 0.301 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 -6.085 0.215 -1.148 0.00 0.00 +0.085 C ATOM 40 C LIG 1 -7.236 1.119 -1.613 0.00 0.00 +0.016 C ATOM 41 C LIG 1 -7.617 2.123 -0.536 0.00 0.00 +0.006 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 8