REMARK Name = BDB018629 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.927 -0.184 0.002 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.921 -1.390 -0.693 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.102 -1.714 -1.496 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.977 -2.284 -0.555 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.063 -1.955 0.261 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.109 -0.721 0.930 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.024 0.160 0.802 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 3.869 0.364 -1.808 0.00 0.00 +0.032 C ATOM 9 C LIG 1 3.868 0.858 -0.360 0.00 0.00 +0.105 C ATOM 10 N LIG 1 4.186 -0.219 0.562 0.00 0.00 -0.304 N ATOM 11 C LIG 1 3.218 -0.927 1.231 0.00 0.00 +0.152 A ATOM 12 N LIG 1 3.798 -1.821 1.999 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 5.153 -1.698 1.830 0.00 0.00 -0.127 NA ATOM 14 C LIG 1 1.761 -0.662 1.101 0.00 0.00 +0.184 C ATOM 15 N LIG 1 1.471 0.432 0.163 0.00 0.00 -0.288 N ATOM 16 C LIG 1 0.163 0.792 -0.164 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.150 1.911 -0.570 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 5.399 -0.728 0.961 0.00 0.00 +0.183 A ATOM 19 C LIG 1 2.505 1.461 0.015 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 6.738 -0.314 0.530 0.00 0.00 +0.108 A ATOM 21 N LIG 1 6.816 0.715 -0.351 0.00 0.00 -0.249 NA ATOM 22 C LIG 1 8.057 1.092 -0.750 0.00 0.00 +0.149 A ATOM 23 C LIG 1 9.222 0.492 -0.308 0.00 0.00 +0.141 A ATOM 24 F LIG 1 10.415 0.915 -0.742 0.00 0.00 -0.204 F ATOM 25 C LIG 1 9.133 -0.555 0.592 0.00 0.00 +0.042 A ATOM 26 C LIG 1 7.871 -0.967 1.019 0.00 0.00 +0.034 A ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 27 ATOM 27 C LIG 1 -4.290 -0.352 1.800 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -5.634 -0.530 1.105 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -6.099 0.473 0.112 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -7.332 0.240 -0.496 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -7.841 1.134 -1.446 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -7.110 2.269 -1.791 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.876 2.508 -1.187 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.100 -0.960 -0.128 0.00 0.00 +0.272 A ATOM 35 O LIG 1 -9.189 -1.205 -0.634 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -7.525 -1.781 0.811 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -8.042 -2.613 1.079 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -5.370 1.615 -0.237 0.00 0.00 +0.010 A ATOM 39 N LIG 1 -6.325 -1.587 1.419 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 4