REMARK Name = BDB011733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.680 0.072 -0.206 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.594 -0.865 0.315 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.907 -1.966 0.781 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.711 -0.391 0.250 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.998 0.991 -0.011 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.277 2.053 0.590 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.692 3.377 0.349 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.769 3.660 -0.489 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.449 2.622 -1.107 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -0.848 1.834 1.457 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -0.974 2.594 2.633 0.00 0.00 +0.220 C ATOM 12 O LIG 1 -0.059 3.272 3.105 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 2.064 1.303 -0.870 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.971 1.047 0.928 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -3.255 -0.950 -1.821 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -2.858 -0.753 -0.514 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -2.991 -1.530 0.127 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -2.854 -0.234 -2.740 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -4.326 -2.054 -2.040 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -3.917 -3.389 -1.420 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -5.894 -2.507 -3.847 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -4.505 -2.250 -3.497 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -4.193 -1.391 -3.966 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 1.769 -1.212 0.869 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 2.913 -1.661 -0.034 0.00 0.00 -0.019 A ATOM 26 C LIG 1 4.245 -1.145 0.149 0.00 0.00 -0.013 A ATOM 27 C LIG 1 5.279 -1.609 -0.705 0.00 0.00 -0.018 A ATOM 28 C LIG 1 6.594 -1.132 -0.566 0.00 0.00 +0.008 A ATOM 29 C LIG 1 6.920 -0.189 0.403 0.00 0.00 +0.001 A ATOM 30 C LIG 1 5.930 0.292 1.244 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.999 -2.545 -1.703 0.00 0.00 +0.009 A ATOM 32 C LIG 1 3.712 -3.041 -1.877 0.00 0.00 +0.004 A ATOM 33 C LIG 1 4.618 -0.177 1.118 0.00 0.00 +0.009 A ATOM 34 C LIG 1 2.664 -2.622 -1.050 0.00 0.00 -0.045 A ATOM 35 C LIG 1 1.301 -3.216 -1.298 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 36 ATOM 36 C LIG 1 -2.305 2.496 3.371 0.00 0.00 +0.107 C BRANCH 36 37 ATOM 37 C LIG 1 -2.399 3.494 4.524 0.00 0.00 +0.129 C BRANCH 37 38 ATOM 38 C LIG 1 -2.424 4.936 4.090 0.00 0.00 +0.305 C ATOM 39 O LIG 1 -2.237 5.896 4.822 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 -2.764 5.128 2.802 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 -2.730 6.104 2.706 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 9