REMARK Name = BDB020078 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.498 -1.143 0.611 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.884 -0.210 -0.359 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.233 0.144 -0.514 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -3.192 -0.474 0.304 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.833 -1.446 1.252 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.474 -1.762 1.404 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.640 1.125 -1.532 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -2.378 2.510 -1.398 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -1.663 3.072 -0.198 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -2.776 3.388 -2.420 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -3.437 2.906 -3.544 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -3.813 3.760 -4.505 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -3.714 1.555 -3.683 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -3.316 0.669 -2.682 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.873 -0.622 0.426 0.00 0.00 -0.303 N ATOM 16 H LIG 1 1.638 0.305 0.097 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 0.926 -1.529 0.822 0.00 0.00 +0.245 C ATOM 18 O LIG 1 1.198 -2.599 1.354 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.301 -0.853 0.569 0.00 0.00 +0.125 C BRANCH 19 23 ATOM 20 C LIG 1 7.197 1.879 2.252 0.00 0.00 +0.044 C ATOM 21 C LIG 1 5.877 1.781 1.548 0.00 0.00 -0.047 A ATOM 22 C LIG 1 5.231 0.550 1.414 0.00 0.00 +0.028 A ATOM 23 C LIG 1 4.021 0.484 0.722 0.00 0.00 +0.062 A ATOM 24 N LIG 1 3.438 1.586 0.164 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 4.092 2.760 0.294 0.00 0.00 +0.111 A ATOM 26 C LIG 1 5.297 2.905 0.962 0.00 0.00 +0.023 A ENDBRANCH 19 23 BRANCH 19 27 ATOM 27 C LIG 1 3.764 -1.681 -0.610 0.00 0.00 +0.015 C ATOM 28 C LIG 1 3.705 -1.150 -2.026 0.00 0.00 +0.006 C ATOM 29 C LIG 1 5.037 -1.456 -1.399 0.00 0.00 +0.006 C ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -3.864 -2.113 2.137 0.00 0.00 +0.161 C BRANCH 30 31 ATOM 31 N LIG 1 -5.070 -2.471 1.420 0.00 0.00 -0.295 N ATOM 32 C LIG 1 -5.174 -3.453 0.457 0.00 0.00 +0.296 A ATOM 33 N LIG 1 -4.279 -4.187 -0.096 0.00 0.00 -0.250 NA ATOM 34 H LIG 1 -3.359 -3.939 0.269 0.00 0.00 +0.191 HD ATOM 35 O LIG 1 -6.502 -3.612 0.075 0.00 0.00 -0.431 OA ATOM 36 C LIG 1 -7.145 -2.674 0.888 0.00 0.00 +0.217 A ATOM 37 C LIG 1 -6.324 -2.003 1.686 0.00 0.00 +0.129 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 7