REMARK Name = BDB049171 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.070 0.620 -0.905 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -0.976 -0.389 -0.573 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -2.338 -0.256 -0.878 0.00 0.00 +0.015 A ATOM 4 C LIG 1 -2.810 0.898 -1.512 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -1.902 1.904 -1.861 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -0.544 1.766 -1.556 0.00 0.00 +0.024 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 1.536 -1.490 0.458 0.00 0.00 -0.275 OA ATOM 8 C LIG 1 2.006 -0.453 0.004 0.00 0.00 +0.218 C ATOM 9 N LIG 1 1.312 0.562 -0.633 0.00 0.00 -0.285 N ATOM 10 H LIG 1 1.857 1.359 -0.939 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 3.488 -0.138 0.095 0.00 0.00 +0.104 C BRANCH 11 12 ATOM 12 C LIG 1 4.261 -1.251 0.790 0.00 0.00 +0.083 C BRANCH 12 13 ATOM 13 C LIG 1 5.739 -0.968 0.897 0.00 0.00 +0.111 A ATOM 14 N LIG 1 6.468 -1.952 1.514 0.00 0.00 -0.310 N ATOM 15 H LIG 1 6.021 -2.791 1.858 0.00 0.00 +0.170 HD ATOM 16 C LIG 1 7.824 -1.880 1.706 0.00 0.00 +0.259 A ATOM 17 O LIG 1 8.452 -2.773 2.261 0.00 0.00 -0.267 OA ATOM 18 C LIG 1 8.471 -0.658 1.202 0.00 0.00 +0.065 A ATOM 19 C LIG 1 7.654 0.295 0.587 0.00 0.00 +0.078 A ATOM 20 C LIG 1 8.243 1.463 0.100 0.00 0.00 +0.028 A ATOM 21 C LIG 1 9.620 1.672 0.227 0.00 0.00 +0.002 A ATOM 22 C LIG 1 10.422 0.711 0.844 0.00 0.00 +0.001 A ATOM 23 C LIG 1 9.849 -0.461 1.336 0.00 0.00 +0.015 A ATOM 24 N LIG 1 6.266 0.122 0.440 0.00 0.00 -0.234 NA ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 25 ATOM 25 C LIG 1 -4.249 1.087 -1.861 0.00 0.00 +0.248 C ATOM 26 N LIG 1 -5.142 0.478 -1.008 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -4.798 0.031 -0.161 0.00 0.00 +0.155 HD ATOM 28 O LIG 1 -4.525 1.774 -2.837 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 -6.557 0.447 -1.088 0.00 0.00 +0.060 A ATOM 30 C LIG 1 -7.212 -0.205 -0.030 0.00 0.00 +0.092 A ATOM 31 C LIG 1 -8.623 -0.272 -0.053 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -9.273 -0.922 1.004 0.00 0.00 +0.011 A ATOM 33 C LIG 1 -8.531 -1.480 2.038 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -7.156 -1.370 1.981 0.00 0.00 +0.111 A ATOM 35 C LIG 1 -9.343 0.300 -1.113 0.00 0.00 +0.010 A ATOM 36 C LIG 1 -8.673 0.938 -2.153 0.00 0.00 +0.003 A ATOM 37 N LIG 1 -6.490 -0.752 0.980 0.00 0.00 -0.253 NA ATOM 38 C LIG 1 -7.282 1.011 -2.142 0.00 0.00 +0.025 A ENDBRANCH 26 29 ENDBRANCH 4 25 TORSDOF 6