REMARK Name = BDB050352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.360 -1.227 -0.277 0.00 0.00 +0.103 C ATOM 2 C LIG 1 -0.873 -2.130 -0.336 0.00 0.00 +0.178 C ATOM 3 O LIG 1 -1.132 -2.712 -1.386 0.00 0.00 -0.291 OA ATOM 4 C LIG 1 -1.792 -2.216 0.921 0.00 0.00 +0.060 C ATOM 5 C LIG 1 -1.279 -1.145 1.823 0.00 0.00 +0.015 C ATOM 6 C LIG 1 -0.954 0.180 1.338 0.00 0.00 +0.051 C ATOM 7 C LIG 1 -2.112 0.444 0.490 0.00 0.00 +0.003 C ATOM 8 C LIG 1 -3.271 -0.255 -0.128 0.00 0.00 +0.018 C ATOM 9 C LIG 1 -0.604 1.202 2.274 0.00 0.00 +0.007 C ATOM 10 C LIG 1 0.461 2.204 2.424 0.00 0.00 +0.055 C ATOM 11 C LIG 1 1.285 2.147 1.037 0.00 0.00 +0.130 C ATOM 12 C LIG 1 0.520 2.887 -0.140 0.00 0.00 +0.043 C ATOM 13 C LIG 1 2.693 2.769 1.251 0.00 0.00 +0.043 C ATOM 14 O LIG 1 1.437 0.729 0.652 0.00 0.00 -0.487 OA ATOM 15 C LIG 1 -3.292 -1.801 0.448 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -4.250 -1.772 1.764 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -4.004 -2.813 -0.541 0.00 0.00 +0.000 C ATOM 18 C LIG 1 0.294 -0.087 0.467 0.00 0.00 +0.121 C ENDROOT BRANCH 1 19 ATOM 19 C LIG 1 1.603 -1.748 -0.914 0.00 0.00 +0.200 C ATOM 20 O LIG 1 1.817 -2.958 -0.894 0.00 0.00 -0.286 OA BRANCH 19 25 ATOM 21 C LIG 1 4.498 1.006 -2.372 0.00 0.00 +0.168 A ATOM 22 C LIG 1 4.913 0.011 -1.438 0.00 0.00 +0.221 A ATOM 23 O LIG 1 6.097 -0.083 -0.971 0.00 0.00 -0.284 OA ATOM 24 C LIG 1 3.911 -0.895 -1.039 0.00 0.00 +0.066 A ATOM 25 C LIG 1 2.585 -0.807 -1.482 0.00 0.00 +0.026 A ATOM 26 C LIG 1 2.206 0.169 -2.398 0.00 0.00 +0.015 A ATOM 27 C LIG 1 3.165 1.077 -2.841 0.00 0.00 +0.050 A BRANCH 21 29 ATOM 28 C LIG 1 5.192 2.796 -3.808 0.00 0.00 +0.253 C ATOM 29 O LIG 1 5.497 1.897 -2.756 0.00 0.00 -0.469 OA ENDBRANCH 21 29 ENDBRANCH 19 25 ENDBRANCH 1 19 BRANCH 8 30 ATOM 30 C LIG 1 -3.248 -0.151 -1.602 0.00 0.00 +0.021 C BRANCH 30 31 ATOM 31 C LIG 1 -3.429 -0.011 -3.139 0.00 0.00 -0.035 C ATOM 32 C LIG 1 -3.642 0.112 -4.415 0.00 0.00 -0.048 C ATOM 33 C LIG 1 -2.851 1.165 -5.202 0.00 0.00 +0.026 C ATOM 34 C LIG 1 -4.939 -0.463 -5.016 0.00 0.00 +0.026 C ENDBRANCH 30 31 ENDBRANCH 8 30 BRANCH 10 35 ATOM 35 C LIG 1 -0.067 3.544 2.769 0.00 0.00 +0.025 C BRANCH 35 36 ATOM 36 C LIG 1 -0.613 4.976 3.047 0.00 0.00 -0.035 C ATOM 37 C LIG 1 -1.055 6.182 3.258 0.00 0.00 -0.048 C ATOM 38 C LIG 1 -2.491 6.533 2.834 0.00 0.00 +0.026 C ATOM 39 C LIG 1 -0.324 7.087 4.265 0.00 0.00 +0.026 C ENDBRANCH 35 36 ENDBRANCH 10 35 BRANCH 4 40 ATOM 40 C LIG 1 -1.673 -3.561 1.527 0.00 0.00 +0.033 C BRANCH 40 41 ATOM 41 C LIG 1 -1.530 -4.974 2.167 0.00 0.00 -0.034 C ATOM 42 C LIG 1 -1.400 -6.154 2.701 0.00 0.00 -0.048 C ATOM 43 C LIG 1 -0.962 -6.271 4.169 0.00 0.00 +0.026 C ATOM 44 C LIG 1 -1.920 -7.397 1.963 0.00 0.00 +0.026 C ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 9