REMARK Name = BDB019678 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.832 1.369 0.508 0.00 0.00 -0.013 A ATOM 2 C LIG 1 0.336 0.647 0.238 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.296 -0.751 0.160 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.911 -1.426 0.380 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -2.087 -0.717 0.660 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.039 0.685 0.707 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -1.277 4.916 0.182 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -0.295 4.987 1.096 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 0.006 3.700 1.371 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -0.796 2.816 0.586 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -1.611 3.640 -0.160 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 1.053 3.309 2.381 0.00 0.00 +0.437 C ATOM 13 F LIG 1 1.473 4.340 3.160 0.00 0.00 -0.164 F ATOM 14 F LIG 1 0.604 2.344 3.229 0.00 0.00 -0.164 F ATOM 15 F LIG 1 2.163 2.801 1.777 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -2.952 6.683 0.556 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -1.860 6.137 -0.345 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 1.512 -1.561 -0.127 0.00 0.00 +0.245 C ATOM 19 N LIG 1 2.472 -0.962 -0.908 0.00 0.00 -0.304 N ATOM 20 H LIG 1 2.295 -0.072 -1.345 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 1.596 -2.704 0.305 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 3.697 -1.638 -1.282 0.00 0.00 +0.107 C BRANCH 22 23 ATOM 23 C LIG 1 4.858 -0.663 -1.132 0.00 0.00 -0.027 A ATOM 24 C LIG 1 5.656 -0.716 0.027 0.00 0.00 +0.011 A ATOM 25 C LIG 1 6.717 0.180 0.219 0.00 0.00 -0.015 A ATOM 26 C LIG 1 7.545 0.138 1.467 0.00 0.00 +0.047 C ATOM 27 C LIG 1 6.953 1.155 -0.751 0.00 0.00 +0.126 A ATOM 28 F LIG 1 7.947 2.038 -0.583 0.00 0.00 -0.205 F ATOM 29 C LIG 1 6.170 1.236 -1.897 0.00 0.00 +0.039 A ATOM 30 C LIG 1 5.123 0.334 -2.087 0.00 0.00 +0.008 A ENDBRANCH 22 23 BRANCH 22 31 ATOM 31 C LIG 1 3.646 -2.210 -2.683 0.00 0.00 +0.014 C ATOM 32 C LIG 1 2.720 -1.707 -3.773 0.00 0.00 +0.006 C ATOM 33 C LIG 1 2.480 -3.054 -3.150 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 34 ATOM 34 C LIG 1 -3.391 -1.454 0.868 0.00 0.00 +0.138 C BRANCH 34 35 ATOM 35 N LIG 1 -3.960 -1.776 -0.423 0.00 0.00 -0.329 N ATOM 36 H LIG 1 -3.633 -1.174 -1.169 0.00 0.00 +0.147 HD BRANCH 35 37 ATOM 37 C LIG 1 -5.115 -2.464 -0.672 0.00 0.00 +0.092 C ATOM 38 N LIG 1 -5.622 -2.429 -1.864 0.00 0.00 -0.289 NA ATOM 39 H LIG 1 -5.033 -1.870 -2.482 0.00 0.00 +0.188 HD BRANCH 37 40 ATOM 40 C LIG 1 -5.875 -3.303 0.354 0.00 0.00 +0.079 C ATOM 41 C LIG 1 -6.389 -2.483 1.520 0.00 0.00 +0.170 C ATOM 42 O LIG 1 -5.556 -2.815 2.640 0.00 0.00 -0.379 OA ATOM 43 C LIG 1 -5.181 -4.186 2.470 0.00 0.00 +0.160 C ATOM 44 C LIG 1 -5.042 -4.408 0.977 0.00 0.00 +0.041 C ENDBRANCH 37 40 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 11