REMARK Name = BDB026141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.308 -0.346 -1.377 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.704 0.683 -0.608 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.363 0.596 -0.205 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.442 -0.495 -0.577 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -0.157 -1.479 -1.374 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.549 -2.549 -1.770 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.494 -1.407 -1.775 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.213 -2.858 0.178 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.210 -1.892 -0.481 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.760 -2.340 -1.782 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.351 -3.673 -1.738 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.756 -2.233 -2.856 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.160 -0.814 -2.985 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.671 -0.262 -1.705 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -4.621 -0.453 -0.576 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 1.850 -0.579 -0.162 0.00 0.00 +0.021 A ATOM 17 C LIG 1 2.868 -1.028 -0.980 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.170 -1.109 -0.623 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 4.505 -0.724 0.618 0.00 0.00 +0.218 A ATOM 20 N LIG 1 3.594 -0.273 1.493 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 2.304 -0.211 1.089 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 5.822 -0.817 1.012 0.00 0.00 -0.295 N ATOM 23 C LIG 1 6.821 -1.152 -0.002 0.00 0.00 +0.142 C ATOM 24 C LIG 1 8.203 -1.433 0.658 0.00 0.00 +0.080 C ATOM 25 C LIG 1 9.273 -1.534 -0.435 0.00 0.00 +0.043 C ATOM 26 C LIG 1 8.175 -2.748 1.450 0.00 0.00 +0.043 C ATOM 27 O LIG 1 8.647 -0.401 1.566 0.00 0.00 -0.371 OA ATOM 28 C LIG 1 7.654 0.589 1.863 0.00 0.00 +0.179 C ATOM 29 C LIG 1 6.266 -0.005 2.145 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 30 ATOM 30 N LIG 1 -2.504 1.819 -0.352 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.394 1.784 -0.842 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.245 2.865 0.498 0.00 0.00 +0.249 C ATOM 33 O LIG 1 -1.301 2.996 1.260 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.288 3.921 0.488 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -3.906 4.336 1.679 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -4.864 5.364 1.610 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -5.192 5.942 0.386 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -6.112 6.912 0.342 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -4.580 5.527 -0.789 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -3.623 4.515 -0.742 0.00 0.00 +0.016 A BRANCH 35 41 ATOM 41 C LIG 1 -3.571 3.710 3.008 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.485 2.353 2.960 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.531 3.962 3.947 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.415 4.172 3.545 0.00 0.00 -0.166 F ENDBRANCH 35 41 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6