REMARK Name = BDB064844 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.117 1.515 -0.574 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.873 1.032 0.707 0.00 0.00 +0.136 A ATOM 3 F LIG 1 -0.325 1.195 1.285 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.874 0.367 1.410 0.00 0.00 +0.050 A ATOM 5 C LIG 1 3.152 0.199 0.851 0.00 0.00 +0.020 A ATOM 6 C LIG 1 3.396 0.709 -0.435 0.00 0.00 +0.012 A ATOM 7 C LIG 1 2.386 1.371 -1.143 0.00 0.00 +0.016 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.565 0.306 -2.002 0.00 0.00 +0.282 C ATOM 9 N LIG 1 -3.431 0.366 -2.836 0.00 0.00 -0.289 N ATOM 10 C LIG 1 -2.256 -0.466 -2.515 0.00 0.00 +0.091 C ATOM 11 C LIG 1 -2.561 -1.936 -2.229 0.00 0.00 +0.029 C ATOM 12 C LIG 1 -1.405 0.190 -1.406 0.00 0.00 +0.130 C ATOM 13 N LIG 1 -1.064 1.588 -1.748 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.085 2.250 -1.321 0.00 0.00 +0.249 C ATOM 15 O LIG 1 0.326 3.428 -1.581 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -2.169 2.415 -2.256 0.00 0.00 +0.127 C ATOM 17 C LIG 1 -3.023 1.694 -3.318 0.00 0.00 +0.127 C ATOM 18 O LIG 1 -4.527 -0.268 -0.914 0.00 0.00 -0.267 OA BRANCH 8 21 ATOM 19 C LIG 1 -7.228 1.150 -0.366 0.00 0.00 +0.048 C ATOM 20 C LIG 1 -6.953 1.293 -1.818 0.00 0.00 -0.000 A ATOM 21 C LIG 1 -5.789 0.932 -2.488 0.00 0.00 +0.192 A ATOM 22 O LIG 1 -5.936 1.198 -3.826 0.00 0.00 -0.458 OA ATOM 23 C LIG 1 -7.165 1.739 -4.004 0.00 0.00 +0.196 A ATOM 24 C LIG 1 -7.830 1.822 -2.806 0.00 0.00 +0.045 A ENDBRANCH 8 21 ENDBRANCH 1 14 BRANCH 5 25 ATOM 25 C LIG 1 4.177 -0.504 1.628 0.00 0.00 +0.139 A ATOM 26 N LIG 1 5.526 -0.479 1.355 0.00 0.00 -0.338 N ATOM 27 H LIG 1 5.964 0.032 0.605 0.00 0.00 +0.167 HD ATOM 28 C LIG 1 6.184 -1.236 2.291 0.00 0.00 +0.067 A ATOM 29 C LIG 1 5.175 -1.722 3.118 0.00 0.00 +0.102 A ATOM 30 C LIG 1 5.532 -2.551 4.197 0.00 0.00 +0.064 A ATOM 31 C LIG 1 6.891 -2.857 4.404 0.00 0.00 +0.015 A ATOM 32 C LIG 1 7.874 -2.347 3.553 0.00 0.00 +0.003 A ATOM 33 C LIG 1 7.540 -1.523 2.473 0.00 0.00 +0.028 A ATOM 34 N LIG 1 3.956 -1.235 2.703 0.00 0.00 -0.227 NA BRANCH 30 35 ATOM 35 C LIG 1 4.497 -3.111 5.088 0.00 0.00 +0.244 C ATOM 36 O LIG 1 3.450 -3.588 4.678 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 4.780 -3.080 6.429 0.00 0.00 -0.325 N ATOM 38 H LIG 1 4.011 -3.329 7.038 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 5.487 -2.459 6.799 0.00 0.00 +0.145 HD ENDBRANCH 30 35 ENDBRANCH 5 25 TORSDOF 4