REMARK Name = BDB028084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.164 0.148 -1.436 0.00 0.00 +0.059 A ATOM 2 N LIG 1 3.519 -1.050 -0.873 0.00 0.00 -0.254 NA ATOM 3 C LIG 1 2.606 -1.803 -0.203 0.00 0.00 +0.050 A ATOM 4 C LIG 1 1.310 -1.351 -0.110 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.121 -1.963 0.538 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.940 -0.995 0.284 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.457 0.101 -0.441 0.00 0.00 +0.252 C ATOM 8 O LIG 1 -1.011 1.106 -0.846 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.968 -0.140 -0.685 0.00 0.00 +0.045 A ATOM 10 C LIG 1 1.872 0.647 -1.358 0.00 0.00 +0.038 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.271 -1.190 0.745 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.279 -0.238 0.522 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.615 -0.394 0.969 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.907 -1.590 1.647 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.928 -2.553 1.887 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.621 -2.351 1.442 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.749 0.742 0.664 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -6.804 0.990 1.785 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -6.096 2.161 2.249 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.341 2.210 1.010 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -6.281 0.485 -0.757 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -7.417 1.337 -1.207 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -8.723 0.932 -1.322 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -9.272 -0.365 -1.030 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -9.417 2.008 -1.779 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -8.597 3.017 -1.950 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.338 2.593 -1.599 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 3.047 -3.114 0.398 0.00 0.00 +0.038 C ATOM 29 C LIG 1 3.115 -3.276 1.900 0.00 0.00 +0.010 C ATOM 30 C LIG 1 4.382 -3.207 1.102 0.00 0.00 +0.010 C ENDBRANCH 3 28 BRANCH 1 31 ATOM 31 C LIG 1 4.250 0.962 -2.151 0.00 0.00 +0.102 C ATOM 32 C LIG 1 4.815 0.172 -3.342 0.00 0.00 +0.031 C BRANCH 31 40 ATOM 33 C LIG 1 7.902 -0.177 1.028 0.00 0.00 +0.015 C ATOM 34 C LIG 1 6.727 0.731 0.665 0.00 0.00 +0.069 C ATOM 35 C LIG 1 7.061 2.197 0.883 0.00 0.00 +0.254 C ATOM 36 F LIG 1 8.221 2.507 0.241 0.00 0.00 -0.205 F ATOM 37 F LIG 1 7.303 2.410 2.206 0.00 0.00 -0.205 F ATOM 38 C LIG 1 5.974 3.153 0.421 0.00 0.00 +0.091 C ATOM 39 C LIG 1 4.817 2.418 -0.249 0.00 0.00 +0.091 C ATOM 40 N LIG 1 5.315 1.501 -1.271 0.00 0.00 -0.294 NA ATOM 41 C LIG 1 6.298 0.521 -0.791 0.00 0.00 +0.094 C ENDBRANCH 31 40 ENDBRANCH 1 31 TORSDOF 7