REMARK Name = BDB004807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.536 -1.089 0.107 0.00 0.00 +0.104 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.575 -0.969 -0.935 0.00 0.00 -0.025 A ATOM 3 C LIG 1 -1.704 -0.172 -0.664 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.742 -0.052 -1.591 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -2.640 -0.730 -2.812 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -1.524 -1.517 -3.100 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.498 -1.636 -2.167 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 -3.910 0.711 -1.379 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -4.580 0.692 -2.141 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -4.249 1.450 -0.260 0.00 0.00 +0.251 C ATOM 11 O LIG 1 -3.557 1.586 0.745 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 -5.579 2.135 -0.284 0.00 0.00 +0.075 A ATOM 13 C LIG 1 -6.455 2.066 -1.369 0.00 0.00 +0.170 A ATOM 14 F LIG 1 -6.134 1.372 -2.473 0.00 0.00 -0.202 F ATOM 15 C LIG 1 -7.685 2.717 -1.324 0.00 0.00 +0.159 A ATOM 16 F LIG 1 -8.518 2.639 -2.371 0.00 0.00 -0.202 F ATOM 17 C LIG 1 -8.069 3.448 -0.205 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -7.207 3.530 0.886 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -5.969 2.877 0.846 0.00 0.00 +0.016 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 1.783 -0.622 -0.521 0.00 0.00 -0.322 N ATOM 21 H LIG 1 1.587 0.147 -1.158 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 2.819 -0.205 0.344 0.00 0.00 +0.130 A ATOM 23 C LIG 1 4.047 0.219 -0.208 0.00 0.00 +0.041 A ATOM 24 C LIG 1 5.041 0.631 0.701 0.00 0.00 +0.088 A ATOM 25 C LIG 1 6.275 1.059 0.168 0.00 0.00 +0.063 A ATOM 26 C LIG 1 6.512 1.067 -1.220 0.00 0.00 +0.015 A ATOM 27 C LIG 1 5.531 0.652 -2.105 0.00 0.00 +0.002 A ATOM 28 N LIG 1 4.803 0.600 2.032 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 3.609 0.161 2.445 0.00 0.00 +0.223 A ATOM 30 C LIG 1 4.309 0.228 -1.602 0.00 0.00 +0.013 A ATOM 31 N LIG 1 2.608 -0.244 1.667 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 7.420 1.517 1.018 0.00 0.00 +0.244 C ATOM 33 O LIG 1 8.520 1.766 0.536 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 7.221 1.651 2.360 0.00 0.00 -0.325 N ATOM 35 H LIG 1 8.014 1.867 2.946 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 6.352 1.339 2.785 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 0.693 -2.538 0.607 0.00 0.00 +0.055 C BRANCH 37 38 ATOM 38 C LIG 1 -0.521 -3.007 1.409 0.00 0.00 +0.161 C BRANCH 38 40 ATOM 39 C LIG 1 0.388 -4.420 3.092 0.00 0.00 +0.193 C ATOM 40 O LIG 1 -0.341 -4.347 1.874 0.00 0.00 -0.383 OA ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 9