REMARK Name = BDB026196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.822 -1.215 -0.060 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.511 0.162 0.074 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.809 0.579 0.273 0.00 0.00 +0.037 A ATOM 4 C LIG 1 1.852 -0.358 0.340 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.532 -1.715 0.214 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.485 -2.655 0.310 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.220 -2.143 0.015 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.162 -4.933 -1.871 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.863 -3.984 -0.706 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.037 -3.940 0.208 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -3.986 -5.030 1.186 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.149 -2.630 0.891 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.805 -1.901 1.095 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.179 -1.590 -0.216 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.464 -2.591 -1.277 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.224 0.103 0.558 0.00 0.00 +0.043 A ATOM 17 S LIG 1 4.523 -0.439 -0.418 0.00 0.00 -0.052 S ATOM 18 C LIG 1 5.638 0.555 0.463 0.00 0.00 +0.161 A ATOM 19 N LIG 1 5.067 1.264 1.414 0.00 0.00 -0.233 NA ATOM 20 C LIG 1 3.711 1.018 1.469 0.00 0.00 +0.129 A BRANCH 18 21 ATOM 21 N LIG 1 6.973 0.607 0.198 0.00 0.00 -0.305 N ATOM 22 C LIG 1 7.803 1.613 0.869 0.00 0.00 +0.135 C ATOM 23 C LIG 1 8.875 2.136 -0.100 0.00 0.00 +0.179 C ATOM 24 O LIG 1 9.741 1.118 -0.625 0.00 0.00 -0.377 OA ATOM 25 C LIG 1 9.137 -0.182 -0.661 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.614 -0.155 -0.874 0.00 0.00 +0.135 C ENDBRANCH 18 21 ENDBRANCH 4 16 BRANCH 2 27 ATOM 27 N LIG 1 -1.605 1.044 -0.039 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -2.475 0.552 -0.235 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -1.628 2.402 0.149 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -0.705 3.125 0.504 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -2.983 2.993 -0.060 0.00 0.00 +0.062 A ATOM 32 C LIG 1 -3.668 3.720 0.997 0.00 0.00 +0.036 A ATOM 33 C LIG 1 -4.873 4.263 0.744 0.00 0.00 +0.080 A ATOM 34 C LIG 1 -5.513 4.137 -0.593 0.00 0.00 +0.252 A ATOM 35 O LIG 1 -6.611 4.651 -0.778 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -4.789 3.425 -1.546 0.00 0.00 -0.318 N ATOM 37 C LIG 1 -5.337 3.275 -2.886 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -3.544 2.879 -1.275 0.00 0.00 +0.102 A BRANCH 32 39 ATOM 39 C LIG 1 -3.008 3.809 2.342 0.00 0.00 +0.372 C ATOM 40 F LIG 1 -3.798 4.463 3.240 0.00 0.00 -0.204 F ATOM 41 F LIG 1 -2.820 2.565 2.861 0.00 0.00 -0.204 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 2 27 TORSDOF 6