REMARK Name = BDB025945 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.303 -1.264 -0.354 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.759 0.031 -0.192 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.625 0.233 -0.234 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.510 -0.842 -0.444 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.945 -2.118 -0.599 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.733 -3.183 -0.815 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.432 -2.335 -0.556 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.217 -1.088 1.525 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.768 -2.318 0.727 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.461 -2.269 -0.592 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.630 -3.149 -0.593 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.528 -2.524 -1.715 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.202 -2.381 -3.087 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.297 -1.560 -1.682 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.708 -1.411 -0.329 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.212 -2.380 0.658 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.964 -0.626 -0.496 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.555 0.444 -1.139 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.886 0.669 -1.202 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.694 -0.213 -0.594 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.228 -1.288 0.060 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.888 -1.468 0.090 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.056 -0.019 -0.662 0.00 0.00 -0.294 N ATOM 24 C LIG 1 7.892 -0.491 0.442 0.00 0.00 +0.077 C ATOM 25 C LIG 1 7.650 0.575 1.534 0.00 0.00 +0.024 C ATOM 26 C LIG 1 7.426 1.856 0.707 0.00 0.00 +0.024 C ATOM 27 C LIG 1 9.289 -0.237 -0.168 0.00 0.00 +0.024 C ATOM 28 C LIG 1 9.064 1.046 -0.997 0.00 0.00 +0.024 C ATOM 29 C LIG 1 7.569 1.349 -0.745 0.00 0.00 +0.077 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.702 1.052 0.038 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.652 0.683 0.088 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.484 2.396 0.189 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.425 3.001 0.081 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.743 3.141 0.470 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.461 3.062 1.738 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.599 3.767 1.892 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.119 4.617 0.791 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.158 5.252 0.918 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.360 4.641 -0.352 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.706 5.234 -1.099 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.199 3.928 -0.517 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.886 2.231 2.843 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.566 2.387 4.010 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.936 0.907 2.552 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.594 2.538 3.108 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6