REMARK Name = BDB009316 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.026 -0.216 0.352 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.127 -1.163 1.367 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.995 -1.006 2.376 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.683 -2.294 1.355 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.620 -2.468 0.334 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.765 -1.502 -0.675 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.927 -0.377 -0.662 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.245 2.083 0.304 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.844 1.010 0.357 0.00 0.00 +0.249 C ATOM 10 N LIG 1 2.229 0.914 0.382 0.00 0.00 -0.294 N ATOM 11 C LIG 1 3.007 2.151 0.468 0.00 0.00 +0.127 C ATOM 12 C LIG 1 4.431 1.935 1.011 0.00 0.00 +0.124 C ATOM 13 N LIG 1 5.165 0.920 0.232 0.00 0.00 -0.327 N ATOM 14 C LIG 1 4.364 -0.081 -0.491 0.00 0.00 +0.124 C ATOM 15 C LIG 1 3.000 -0.320 0.188 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 6.550 0.929 0.162 0.00 0.00 +0.033 A ATOM 17 C LIG 1 7.247 0.280 -0.863 0.00 0.00 +0.043 A ATOM 18 C LIG 1 8.636 0.316 -0.893 0.00 0.00 +0.112 A ATOM 19 N LIG 1 9.393 0.946 0.024 0.00 0.00 -0.263 NA ATOM 20 C LIG 1 8.722 1.568 1.011 0.00 0.00 +0.112 A ATOM 21 C LIG 1 7.336 1.586 1.116 0.00 0.00 +0.043 A ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 22 ATOM 22 C LIG 1 -2.793 -1.676 -1.770 0.00 0.00 +0.092 C BRANCH 22 23 ATOM 23 C LIG 1 -4.208 -1.891 -1.243 0.00 0.00 +0.069 A ATOM 24 C LIG 1 -4.981 -0.734 -0.690 0.00 0.00 -0.016 A ATOM 25 C LIG 1 -4.406 0.655 -0.688 0.00 0.00 +0.037 C ATOM 26 C LIG 1 -5.449 1.743 -0.412 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -6.370 1.341 0.733 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -7.099 0.034 0.416 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -6.206 -1.004 -0.206 0.00 0.00 +0.023 A ATOM 30 C LIG 1 -6.743 -2.386 -0.263 0.00 0.00 +0.268 A ATOM 31 O LIG 1 -7.862 -2.665 0.154 0.00 0.00 -0.266 OA ATOM 32 N LIG 1 -5.915 -3.327 -0.813 0.00 0.00 -0.243 N ATOM 33 H LIG 1 -6.265 -4.278 -0.862 0.00 0.00 +0.192 HD ATOM 34 N LIG 1 -4.663 -3.109 -1.294 0.00 0.00 -0.175 NA ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 4