REMARK Name = BDB005132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.014 -2.553 1.710 0.00 0.00 +0.102 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.630 -2.444 0.239 0.00 0.00 -0.026 A ATOM 3 C LIG 1 0.395 -1.560 -0.144 0.00 0.00 +0.028 A ATOM 4 C LIG 1 0.775 -1.411 -1.485 0.00 0.00 +0.034 A ATOM 5 C LIG 1 0.109 -2.153 -2.459 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.916 -3.031 -2.099 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -1.286 -3.175 -0.762 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 1.814 -0.496 -1.760 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.213 -0.047 -0.948 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 2.386 -0.219 -2.988 0.00 0.00 +0.248 C ATOM 11 O LIG 1 2.132 -0.759 -4.058 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 3.450 0.827 -2.971 0.00 0.00 +0.040 A ATOM 13 C LIG 1 3.421 1.902 -2.081 0.00 0.00 +0.055 A ATOM 14 C LIG 1 4.449 2.842 -2.111 0.00 0.00 +0.165 A ATOM 15 F LIG 1 4.403 3.858 -1.235 0.00 0.00 -0.202 F ATOM 16 C LIG 1 5.508 2.749 -3.021 0.00 0.00 +0.155 A ATOM 17 C LIG 1 5.521 1.687 -3.925 0.00 0.00 +0.049 A ATOM 18 C LIG 1 4.494 0.734 -3.902 0.00 0.00 +0.017 A BRANCH 16 19 ATOM 19 O LIG 1 6.452 3.736 -2.936 0.00 0.00 -0.492 OA ATOM 20 C LIG 1 7.559 3.655 -3.824 0.00 0.00 +0.277 C ENDBRANCH 16 19 ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 0.253 -4.730 2.172 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -1.089 -4.011 2.216 0.00 0.00 +0.024 C ENDBRANCH 1 22 BRANCH 1 23 ATOM 23 N LIG 1 -2.333 -1.943 1.920 0.00 0.00 -0.322 N ATOM 24 H LIG 1 -2.951 -2.146 1.140 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.386 -0.559 2.188 0.00 0.00 +0.130 A ATOM 26 C LIG 1 -3.645 0.058 2.365 0.00 0.00 +0.041 A ATOM 27 C LIG 1 -3.641 1.444 2.617 0.00 0.00 +0.088 A ATOM 28 C LIG 1 -4.889 2.082 2.777 0.00 0.00 +0.063 A ATOM 29 C LIG 1 -6.097 1.361 2.706 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -6.090 -0.004 2.476 0.00 0.00 +0.002 A ATOM 31 N LIG 1 -2.472 2.118 2.708 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 -1.338 1.425 2.562 0.00 0.00 +0.223 A ATOM 33 C LIG 1 -4.873 -0.650 2.309 0.00 0.00 +0.013 A ATOM 34 N LIG 1 -1.237 0.122 2.309 0.00 0.00 -0.220 NA BRANCH 28 35 ATOM 35 C LIG 1 -5.033 3.549 3.037 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -6.122 4.050 3.302 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 -3.923 4.335 2.968 0.00 0.00 -0.325 N ATOM 38 H LIG 1 -3.003 3.914 2.878 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -4.003 5.305 3.237 0.00 0.00 +0.145 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 8