REMARK Name = BDB064362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.949 -0.286 -1.787 0.00 0.00 -0.284 N ATOM 2 C LIG 1 0.727 0.277 -2.101 0.00 0.00 +0.249 C ATOM 3 O LIG 1 0.593 1.113 -2.993 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.493 -0.137 -1.352 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -1.470 0.869 -1.208 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -2.735 0.592 -0.680 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.035 -0.734 -0.354 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -2.081 -1.763 -0.479 0.00 0.00 +0.005 A ATOM 9 C LIG 1 -0.777 -1.457 -0.951 0.00 0.00 +0.053 A ATOM 10 N LIG 1 0.153 -2.522 -1.004 0.00 0.00 -0.283 N ATOM 11 H LIG 1 -0.197 -3.471 -0.929 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 1.511 -2.462 -0.853 0.00 0.00 +0.235 C ATOM 13 O LIG 1 2.171 -3.501 -0.826 0.00 0.00 -0.274 OA ATOM 14 C LIG 1 2.138 -1.107 -0.608 0.00 0.00 +0.204 C ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 -2.480 -3.123 -0.068 0.00 0.00 -0.013 A ATOM 16 C LIG 1 -2.380 -3.561 1.274 0.00 0.00 -0.040 A ATOM 17 C LIG 1 -1.875 -2.653 2.365 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -2.775 -4.868 1.603 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -3.257 -5.723 0.618 0.00 0.00 +0.124 A ATOM 20 F LIG 1 -3.629 -6.966 0.950 0.00 0.00 -0.205 F ATOM 21 C LIG 1 -3.361 -5.308 -0.701 0.00 0.00 +0.039 A ATOM 22 C LIG 1 -2.976 -4.012 -1.042 0.00 0.00 +0.011 A ENDBRANCH 8 15 BRANCH 1 23 ATOM 23 C LIG 1 3.130 0.067 -2.570 0.00 0.00 +0.144 C BRANCH 23 28 ATOM 24 C LIG 1 4.400 3.316 -1.019 0.00 0.00 +0.124 A ATOM 25 C LIG 1 5.628 2.907 -0.502 0.00 0.00 +0.091 A ATOM 26 C LIG 1 6.064 1.586 -0.658 0.00 0.00 +0.124 A ATOM 27 C LIG 1 5.260 0.668 -1.334 0.00 0.00 +0.051 A ATOM 28 C LIG 1 4.018 1.060 -1.856 0.00 0.00 -0.023 A ATOM 29 C LIG 1 3.602 2.390 -1.693 0.00 0.00 +0.051 A BRANCH 24 31 ATOM 30 C LIG 1 4.646 5.555 -0.258 0.00 0.00 +0.277 C ATOM 31 O LIG 1 3.869 4.574 -0.934 0.00 0.00 -0.495 OA ENDBRANCH 24 31 BRANCH 26 32 ATOM 32 O LIG 1 7.287 1.324 -0.101 0.00 0.00 -0.495 OA ATOM 33 C LIG 1 7.802 0.008 -0.261 0.00 0.00 +0.277 C ENDBRANCH 26 32 ENDBRANCH 23 28 ENDBRANCH 1 23 BRANCH 6 34 ATOM 34 C LIG 1 -3.760 1.697 -0.535 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 N LIG 1 -4.501 1.600 0.707 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -3.970 1.797 1.989 0.00 0.00 +0.204 A ATOM 37 N LIG 1 -2.764 2.055 2.347 0.00 0.00 -0.268 NA ATOM 38 H LIG 1 -2.168 2.097 1.521 0.00 0.00 +0.190 HD ATOM 39 N LIG 1 -5.070 1.655 2.839 0.00 0.00 -0.320 N ATOM 40 C LIG 1 -5.003 1.896 4.258 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -6.219 1.438 2.097 0.00 0.00 +0.106 A ATOM 42 C LIG 1 -5.875 1.399 0.802 0.00 0.00 +0.107 A ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 7