REMARK Name = BDB008820 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.664 -1.630 -0.040 0.00 0.00 +0.148 A ATOM 2 N LIG 1 -0.639 -0.898 -0.618 0.00 0.00 -0.315 N ATOM 3 C LIG 1 0.547 -1.565 -0.386 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.149 -2.712 0.286 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.983 -3.686 0.676 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 2.245 -3.436 0.333 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.741 -2.340 -0.306 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.898 -1.350 -0.665 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.192 -2.726 0.518 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -3.883 -1.333 -1.163 0.00 0.00 +0.131 A ATOM 11 C LIG 1 -3.070 -1.231 -0.026 0.00 0.00 +0.059 A ATOM 12 C LIG 1 -3.624 -0.724 1.158 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -4.957 -0.292 1.202 0.00 0.00 -0.050 A ATOM 14 C LIG 1 -5.521 0.291 2.465 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -5.735 -0.356 0.040 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -5.201 -0.877 -1.140 0.00 0.00 +0.046 A BRANCH 10 18 ATOM 17 C LIG 1 -3.596 -3.221 -2.430 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -3.383 -1.808 -2.349 0.00 0.00 -0.494 OA ENDBRANCH 10 18 ENDBRANCH 1 11 BRANCH 6 19 ATOM 19 C LIG 1 3.288 -4.461 0.697 0.00 0.00 +0.375 C ATOM 20 O LIG 1 3.099 -5.515 1.278 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 4.522 -4.050 0.285 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 4.436 -3.177 -0.163 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 2.375 -0.198 -1.263 0.00 0.00 -0.324 N ATOM 24 H LIG 1 1.824 0.622 -1.041 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 3.801 0.124 -1.383 0.00 0.00 +0.072 C ATOM 26 C LIG 1 4.519 -0.811 -2.353 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 4.523 0.200 -0.038 0.00 0.00 +0.009 C ATOM 28 C LIG 1 3.993 1.255 0.974 0.00 0.00 +0.005 C ATOM 29 C LIG 1 5.458 1.484 1.394 0.00 0.00 +0.001 C ATOM 30 C LIG 1 5.861 0.992 -0.011 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 -0.826 0.336 -1.367 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 C LIG 1 -1.089 1.525 -0.470 0.00 0.00 -0.028 A ATOM 33 C LIG 1 -2.177 2.366 -0.746 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -2.448 3.475 0.059 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -1.634 3.771 1.161 0.00 0.00 +0.055 A ATOM 36 C LIG 1 -0.534 2.944 1.428 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -0.264 1.834 0.622 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 -1.917 4.978 2.021 0.00 0.00 +0.417 C ATOM 39 F LIG 1 -1.303 6.099 1.554 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -3.243 5.281 2.098 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.495 4.829 3.308 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 10