REMARK Name = BDB021585 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.097 0.745 -0.558 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -2.899 -0.233 0.416 0.00 0.00 +0.092 A ATOM 3 C LIG 1 -1.661 -0.349 1.063 0.00 0.00 +0.137 A ATOM 4 O LIG 1 -1.596 -1.280 2.061 0.00 0.00 -0.484 OA ATOM 5 C LIG 1 -0.656 -2.358 1.873 0.00 0.00 +0.121 C ATOM 6 C LIG 1 0.684 -1.958 1.212 0.00 0.00 +0.155 C ATOM 7 N LIG 1 1.238 -0.731 1.778 0.00 0.00 -0.291 N ATOM 8 C LIG 1 0.687 0.510 1.462 0.00 0.00 +0.250 C ATOM 9 O LIG 1 1.270 1.570 1.685 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.388 -2.903 3.285 0.00 0.00 +0.057 C ATOM 11 C LIG 1 -1.336 -3.458 1.045 0.00 0.00 +0.057 C ATOM 12 C LIG 1 -0.627 0.543 0.773 0.00 0.00 +0.079 A ATOM 13 C LIG 1 -0.834 1.541 -0.187 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -2.059 1.633 -0.852 0.00 0.00 +0.046 A ENDROOT BRANCH 1 15 ATOM 15 O LIG 1 -4.245 0.964 -1.265 0.00 0.00 -0.489 OA BRANCH 15 21 ATOM 16 C LIG 1 -10.325 1.514 -0.521 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -9.623 0.569 -1.462 0.00 0.00 +0.212 C ATOM 18 N LIG 1 -8.242 0.480 -1.359 0.00 0.00 -0.301 N ATOM 19 C LIG 1 -7.530 -0.356 -2.323 0.00 0.00 +0.111 C ATOM 20 C LIG 1 -6.088 0.090 -2.490 0.00 0.00 +0.063 C ATOM 21 C LIG 1 -5.321 0.021 -1.162 0.00 0.00 +0.176 C ATOM 22 C LIG 1 -6.212 0.353 0.045 0.00 0.00 +0.063 C ATOM 23 C LIG 1 -7.438 1.170 -0.348 0.00 0.00 +0.111 C ATOM 24 O LIG 1 -10.269 -0.091 -2.277 0.00 0.00 -0.276 OA ENDBRANCH 15 21 ENDBRANCH 1 15 BRANCH 7 25 ATOM 25 C LIG 1 2.600 -0.760 2.317 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 3.677 -0.638 1.216 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 3.747 -1.885 0.501 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 4.254 -2.509 1.048 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 5.049 -0.285 1.851 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 6.160 0.100 0.962 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 5.943 1.423 0.347 0.00 0.00 +0.120 C ATOM 32 C LIG 1 7.062 1.841 -0.586 0.00 0.00 -0.030 A ATOM 33 C LIG 1 7.936 0.887 -1.138 0.00 0.00 -0.042 A ATOM 34 C LIG 1 8.944 1.295 -2.022 0.00 0.00 +0.004 A ATOM 35 C LIG 1 9.068 2.638 -2.376 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.192 3.583 -1.847 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.825 -0.560 -0.728 0.00 0.00 +0.051 C ATOM 38 C LIG 1 7.192 3.187 -0.958 0.00 0.00 +0.005 A ATOM 39 C LIG 1 6.473 -0.887 -0.076 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 7