REMARK Name = BDB049515 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.437 -1.636 -0.763 0.00 0.00 +0.051 C ATOM 2 C LIG 1 -2.253 -1.898 0.537 0.00 0.00 +0.079 C ATOM 3 C LIG 1 -3.523 -1.049 0.303 0.00 0.00 +0.104 C ATOM 4 N LIG 1 -3.039 0.127 -0.435 0.00 0.00 -0.293 NA ATOM 5 C LIG 1 -2.157 -0.459 -1.457 0.00 0.00 +0.094 C ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -4.129 0.930 -1.014 0.00 0.00 +0.090 C ATOM 7 C LIG 1 -4.984 1.605 0.032 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -4.568 2.924 0.264 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -5.191 3.721 1.212 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -6.272 3.190 1.920 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -6.712 1.881 1.673 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -3.416 3.270 -0.626 0.00 0.00 +0.037 C ATOM 13 C LIG 1 -6.064 1.092 0.725 0.00 0.00 +0.128 A ATOM 14 F LIG 1 -6.494 -0.155 0.494 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -3.594 2.207 -1.720 0.00 0.00 +0.028 C ENDBRANCH 4 6 BRANCH 1 19 ATOM 16 C LIG 1 2.806 -0.784 -0.111 0.00 0.00 +0.030 A ATOM 17 C LIG 1 1.809 0.003 0.478 0.00 0.00 +0.023 A ATOM 18 C LIG 1 0.448 -0.260 0.272 0.00 0.00 +0.006 A ATOM 19 C LIG 1 0.035 -1.335 -0.523 0.00 0.00 -0.041 A ATOM 20 C LIG 1 1.020 -2.132 -1.113 0.00 0.00 +0.006 A ATOM 21 C LIG 1 2.378 -1.861 -0.903 0.00 0.00 +0.023 A BRANCH 16 27 ATOM 22 C LIG 1 7.825 2.256 -1.369 0.00 0.00 +0.109 C ATOM 23 C LIG 1 7.226 1.900 -0.032 0.00 0.00 +0.213 C ATOM 24 N LIG 1 6.810 0.589 0.143 0.00 0.00 -0.299 N ATOM 25 C LIG 1 6.124 0.246 1.392 0.00 0.00 +0.126 C ATOM 26 C LIG 1 4.595 0.311 1.200 0.00 0.00 +0.124 C ATOM 27 N LIG 1 4.183 -0.565 0.072 0.00 0.00 -0.327 N ATOM 28 C LIG 1 4.907 -0.274 -1.195 0.00 0.00 +0.124 C ATOM 29 C LIG 1 6.436 -0.298 -0.965 0.00 0.00 +0.126 C ATOM 30 O LIG 1 7.130 2.752 0.851 0.00 0.00 -0.276 OA ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 2 31 ATOM 31 N LIG 1 -2.537 -3.332 0.818 0.00 0.00 -0.304 NA ATOM 32 C LIG 1 -1.298 -4.084 1.049 0.00 0.00 +0.104 C ATOM 33 C LIG 1 -3.408 -3.482 1.990 0.00 0.00 +0.104 C ENDBRANCH 2 31 TORSDOF 4