REMARK Name = BDB049514 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.472 -1.240 -0.318 0.00 0.00 +0.051 C ATOM 2 C LIG 1 -2.054 -2.181 0.765 0.00 0.00 +0.079 C ATOM 3 C LIG 1 -3.567 -1.838 0.748 0.00 0.00 +0.104 C ATOM 4 N LIG 1 -3.697 -0.585 -0.005 0.00 0.00 -0.293 NA ATOM 5 C LIG 1 -2.364 -0.001 -0.148 0.00 0.00 +0.094 C ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -4.788 0.280 0.422 0.00 0.00 +0.090 C ATOM 7 C LIG 1 -5.031 1.507 -0.417 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -5.441 2.581 0.387 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -5.776 3.810 -0.163 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.696 3.963 -1.549 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -5.306 2.889 -2.361 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -5.522 2.174 1.825 0.00 0.00 +0.037 C ATOM 13 C LIG 1 -4.986 1.657 -1.792 0.00 0.00 +0.128 A ATOM 14 F LIG 1 -4.650 0.636 -2.590 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -4.650 0.912 1.831 0.00 0.00 +0.028 C ENDBRANCH 4 6 BRANCH 1 19 ATOM 16 C LIG 1 2.807 -0.373 -0.103 0.00 0.00 +0.030 A ATOM 17 C LIG 1 1.964 -0.114 0.984 0.00 0.00 +0.023 A ATOM 18 C LIG 1 0.589 -0.387 0.929 0.00 0.00 +0.006 A ATOM 19 C LIG 1 0.009 -0.941 -0.217 0.00 0.00 -0.041 A ATOM 20 C LIG 1 0.845 -1.220 -1.302 0.00 0.00 +0.006 A ATOM 21 C LIG 1 2.217 -0.943 -1.241 0.00 0.00 +0.023 A BRANCH 16 27 ATOM 22 C LIG 1 8.686 2.287 -1.033 0.00 0.00 +0.109 C ATOM 23 C LIG 1 8.142 1.498 0.131 0.00 0.00 +0.213 C ATOM 24 N LIG 1 6.848 1.009 0.014 0.00 0.00 -0.299 N ATOM 25 C LIG 1 6.374 0.089 1.056 0.00 0.00 +0.126 C ATOM 26 C LIG 1 4.844 0.098 1.210 0.00 0.00 +0.124 C ATOM 27 N LIG 1 4.190 -0.121 -0.098 0.00 0.00 -0.327 N ATOM 28 C LIG 1 4.601 0.885 -1.105 0.00 0.00 +0.124 C ATOM 29 C LIG 1 6.134 0.903 -1.266 0.00 0.00 +0.126 C ATOM 30 O LIG 1 8.830 1.326 1.137 0.00 0.00 -0.276 OA ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 2 31 ATOM 31 N LIG 1 -1.665 -3.606 0.706 0.00 0.00 -0.304 NA ATOM 32 C LIG 1 -1.976 -4.262 -0.561 0.00 0.00 +0.104 C ATOM 33 C LIG 1 -2.222 -4.364 1.825 0.00 0.00 +0.104 C ENDBRANCH 2 31 TORSDOF 4