REMARK Name = BDB009460 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.177 -0.798 -1.861 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.276 0.492 -2.129 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.580 0.796 -2.054 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.622 1.494 -2.483 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.984 1.202 -2.585 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.459 -0.096 -2.338 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.540 -1.100 -1.993 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 3.886 -1.248 1.305 0.00 0.00 +0.063 C ATOM 9 C LIG 1 2.846 -0.160 1.021 0.00 0.00 +0.030 C ATOM 10 C LIG 1 1.517 -0.786 0.611 0.00 0.00 +0.109 C ATOM 11 N LIG 1 1.701 -1.708 -0.512 0.00 0.00 -0.297 N ATOM 12 C LIG 1 0.761 -1.887 -1.528 0.00 0.00 +0.249 C ATOM 13 O LIG 1 0.662 -2.926 -2.180 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.664 -2.783 -0.281 0.00 0.00 +0.109 C ATOM 15 C LIG 1 4.023 -2.229 0.137 0.00 0.00 +0.030 C BRANCH 8 17 ATOM 16 O LIG 1 5.884 -1.395 2.616 0.00 0.00 -0.292 OA ATOM 17 C LIG 1 5.248 -0.750 1.779 0.00 0.00 +0.166 C BRANCH 17 18 ATOM 18 C LIG 1 5.856 0.510 1.269 0.00 0.00 +0.018 A ATOM 19 C LIG 1 5.772 0.908 -0.070 0.00 0.00 +0.014 A ATOM 20 C LIG 1 6.379 2.097 -0.484 0.00 0.00 +0.039 A ATOM 21 C LIG 1 7.076 2.874 0.435 0.00 0.00 +0.123 A ATOM 22 F LIG 1 7.655 4.011 0.032 0.00 0.00 -0.205 F ATOM 23 C LIG 1 7.186 2.482 1.763 0.00 0.00 +0.039 A ATOM 24 C LIG 1 6.580 1.295 2.181 0.00 0.00 +0.014 A ENDBRANCH 17 18 ENDBRANCH 8 17 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 -3.929 -0.423 -2.492 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -4.833 0.457 -1.637 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -5.038 0.102 -0.189 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -4.386 -0.976 0.400 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -3.496 -1.211 -0.031 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -4.394 -1.137 1.851 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -5.778 -0.790 2.392 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -6.213 0.611 1.942 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -5.892 0.877 0.497 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -6.537 2.040 -0.152 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -7.307 2.775 0.459 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -6.212 2.253 -1.465 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -6.651 3.041 -1.929 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -5.386 1.480 -2.222 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 5