REMARK Name = BDB048673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.336 1.619 0.756 0.00 0.00 -0.281 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.879 2.631 0.040 0.00 0.00 +0.291 A ATOM 3 O LIG 1 2.232 2.601 -0.177 0.00 0.00 -0.424 OA ATOM 4 C LIG 1 2.481 3.707 -0.930 0.00 0.00 +0.157 A ATOM 5 C LIG 1 1.277 4.356 -1.130 0.00 0.00 +0.111 A ATOM 6 C LIG 1 1.261 5.538 -1.883 0.00 0.00 +0.031 A ATOM 7 C LIG 1 2.478 6.006 -2.402 0.00 0.00 +0.002 A ATOM 8 C LIG 1 3.676 5.314 -2.177 0.00 0.00 +0.004 A ATOM 9 C LIG 1 3.706 4.133 -1.426 0.00 0.00 +0.048 A ATOM 10 N LIG 1 0.270 3.664 -0.509 0.00 0.00 -0.195 NA ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 -1.053 1.753 1.185 0.00 0.00 +0.144 C BRANCH 11 14 ATOM 12 C LIG 1 -3.379 -1.231 0.599 0.00 0.00 +0.122 A ATOM 13 C LIG 1 -2.554 -0.290 1.228 0.00 0.00 +0.050 A ATOM 14 C LIG 1 -1.939 0.738 0.499 0.00 0.00 -0.027 A ATOM 15 C LIG 1 -2.161 0.811 -0.881 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -2.971 -0.130 -1.514 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -3.576 -1.151 -0.777 0.00 0.00 +0.046 A BRANCH 12 18 ATOM 18 O LIG 1 -3.885 -2.179 1.443 0.00 0.00 -0.478 OA BRANCH 18 19 ATOM 19 C LIG 1 -4.963 -3.032 1.047 0.00 0.00 +0.281 C BRANCH 19 21 ATOM 20 C LIG 1 -6.715 -1.383 1.876 0.00 0.00 +0.008 C ATOM 21 C LIG 1 -6.274 -2.294 0.738 0.00 0.00 +0.053 C ENDBRANCH 19 21 BRANCH 19 22 ATOM 22 C LIG 1 -4.583 -4.080 -0.007 0.00 0.00 +0.346 C ATOM 23 O LIG 1 -5.362 -4.614 -0.781 0.00 0.00 -0.247 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.262 -4.394 0.024 0.00 0.00 -0.478 OA ATOM 25 H LIG 1 -2.785 -3.830 0.670 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 1 26 ATOM 26 C LIG 1 1.176 0.607 1.391 0.00 0.00 +0.113 C BRANCH 26 27 ATOM 27 C LIG 1 1.254 -0.687 0.574 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 2.124 -0.585 -0.677 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 O LIG 1 3.471 -0.238 -0.355 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 4.354 -1.221 -0.011 0.00 0.00 +0.121 A ATOM 31 C LIG 1 5.640 -0.756 0.290 0.00 0.00 +0.048 A ATOM 32 C LIG 1 6.650 -1.645 0.663 0.00 0.00 +0.042 A ATOM 33 C LIG 1 6.368 -3.001 0.734 0.00 0.00 +0.124 A ATOM 34 F LIG 1 7.332 -3.860 1.092 0.00 0.00 -0.205 F ATOM 35 C LIG 1 5.098 -3.481 0.440 0.00 0.00 +0.042 A ATOM 36 C LIG 1 4.087 -2.590 0.067 0.00 0.00 +0.048 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 13