REMARK Name = BDB018606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.455 0.589 0.641 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.567 1.960 0.432 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.278 2.816 1.024 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.550 2.462 -0.413 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.448 1.587 -1.031 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.381 0.205 -0.792 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.366 -0.290 0.042 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 -3.327 -1.002 -1.212 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -3.716 0.248 -0.420 0.00 0.00 +0.105 C ATOM 10 N LIG 1 -4.641 -0.077 0.646 0.00 0.00 -0.305 N ATOM 11 C LIG 1 -4.234 -0.273 1.943 0.00 0.00 +0.151 A ATOM 12 N LIG 1 -5.290 -0.519 2.685 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 -6.392 -0.483 1.868 0.00 0.00 -0.129 NA ATOM 14 C LIG 1 -2.819 -0.174 2.389 0.00 0.00 +0.184 C ATOM 15 N LIG 1 -1.908 0.182 1.295 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.548 0.037 1.565 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.119 -0.583 2.536 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -6.001 -0.218 0.635 0.00 0.00 +0.165 A ATOM 19 C LIG 1 -2.471 0.937 0.168 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 -7.021 -0.113 -0.555 0.00 0.00 +0.026 A ATOM 21 C LIG 1 -8.371 -0.280 -0.317 0.00 0.00 +0.056 A ATOM 22 S LIG 1 -9.312 -0.127 -1.736 0.00 0.00 -0.104 S ATOM 23 C LIG 1 -7.921 0.158 -2.686 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -6.764 0.138 -1.934 0.00 0.00 +0.019 A ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 25 ATOM 25 C LIG 1 3.361 -0.747 -1.442 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 4.816 -0.324 -1.281 0.00 0.00 +0.074 A ATOM 27 C LIG 1 5.517 -0.540 0.011 0.00 0.00 +0.011 A ATOM 28 C LIG 1 6.843 -0.117 0.092 0.00 0.00 +0.050 A ATOM 29 C LIG 1 7.574 -0.280 1.275 0.00 0.00 +0.014 A ATOM 30 C LIG 1 6.973 -0.871 2.385 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.648 -1.296 2.312 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.471 0.507 -1.083 0.00 0.00 +0.272 A ATOM 33 O LIG 1 8.635 0.892 -1.059 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 6.680 0.628 -2.198 0.00 0.00 -0.242 N ATOM 35 H LIG 1 7.100 1.053 -3.019 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 4.919 -1.135 1.129 0.00 0.00 +0.010 A ATOM 37 N LIG 1 5.385 0.231 -2.311 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4