REMARK Name = BDB016772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.973 2.413 -1.659 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.630 3.437 -0.758 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.477 3.290 0.024 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.633 2.189 -0.057 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.403 2.452 0.895 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.188 3.607 1.541 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.970 1.164 -0.960 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.927 4.096 0.981 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.275 4.989 1.308 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.123 1.298 -1.750 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.329 -1.004 0.498 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.084 0.225 -0.133 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.461 0.399 -1.456 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.362 1.550 -2.417 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.201 2.517 -2.534 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.031 1.038 -3.673 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.420 -0.266 -3.422 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.897 -0.833 -4.106 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.184 1.674 -4.701 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.529 2.972 -1.964 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.098 -0.658 -2.122 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.357 -1.878 -1.534 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.961 -2.047 -0.203 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -5.092 -2.290 2.489 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.909 -1.059 1.801 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.538 1.635 1.210 0.00 0.00 +0.031 C ATOM 27 C LIG 1 2.201 0.825 0.368 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 3.373 0.026 0.752 0.00 0.00 -0.020 A ATOM 29 C LIG 1 3.525 -1.255 0.210 0.00 0.00 +0.046 A ATOM 30 C LIG 1 4.641 -2.029 0.533 0.00 0.00 +0.131 A ATOM 31 F LIG 1 4.731 -3.262 0.015 0.00 0.00 -0.205 F ATOM 32 C LIG 1 5.636 -1.554 1.386 0.00 0.00 +0.037 A ATOM 33 C LIG 1 5.480 -0.272 1.910 0.00 0.00 +0.131 A ATOM 34 F LIG 1 6.415 0.234 2.728 0.00 0.00 -0.205 F ATOM 35 C LIG 1 4.371 0.517 1.600 0.00 0.00 +0.046 A BRANCH 32 36 ATOM 36 C LIG 1 6.842 -2.391 1.718 0.00 0.00 +0.124 C BRANCH 36 37 ATOM 37 N LIG 1 7.848 -2.428 0.641 0.00 0.00 -0.304 NA ATOM 38 C LIG 1 8.555 -1.151 0.515 0.00 0.00 +0.104 C ATOM 39 C LIG 1 8.811 -3.501 0.894 0.00 0.00 +0.104 C ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6