REMARK Name = BDB008855 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.440 0.752 2.096 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.731 1.368 1.642 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.962 0.703 1.745 0.00 0.00 -0.041 A ATOM 4 C LIG 1 -1.999 -0.579 2.315 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.829 -1.182 2.787 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.392 -0.515 2.686 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 1.796 2.590 2.521 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.719 1.486 1.986 0.00 0.00 +0.247 C ATOM 9 N LIG 1 2.767 0.895 1.290 0.00 0.00 -0.295 N ATOM 10 C LIG 1 4.047 1.602 1.226 0.00 0.00 +0.127 C ATOM 11 C LIG 1 5.249 0.664 1.003 0.00 0.00 +0.125 C ATOM 12 N LIG 1 5.037 -0.278 -0.112 0.00 0.00 -0.312 N ATOM 13 C LIG 1 3.697 -0.293 -0.718 0.00 0.00 +0.125 C ATOM 14 C LIG 1 2.614 -0.246 0.376 0.00 0.00 +0.127 C BRANCH 12 15 ATOM 15 C LIG 1 6.098 -0.519 -0.984 0.00 0.00 +0.121 A ATOM 16 N LIG 1 5.838 -0.673 -2.302 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 6.865 -0.918 -3.147 0.00 0.00 +0.113 A ATOM 18 C LIG 1 8.181 -1.035 -2.746 0.00 0.00 +0.020 A ATOM 19 C LIG 1 8.454 -0.895 -1.395 0.00 0.00 +0.005 A ATOM 20 C LIG 1 7.407 -0.639 -0.509 0.00 0.00 +0.043 A ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -3.226 1.350 1.223 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -3.628 0.826 -0.157 0.00 0.00 +0.069 A ATOM 23 C LIG 1 -5.009 0.280 -0.363 0.00 0.00 -0.016 A ATOM 24 C LIG 1 -6.050 0.371 0.720 0.00 0.00 +0.037 C ATOM 25 C LIG 1 -7.473 0.078 0.228 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -7.492 -1.126 -0.707 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -6.588 -0.890 -1.923 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -5.269 -0.263 -1.565 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -4.233 -0.245 -2.632 0.00 0.00 +0.268 A ATOM 30 O LIG 1 -4.428 -0.752 -3.731 0.00 0.00 -0.266 OA ATOM 31 N LIG 1 -3.062 0.390 -2.318 0.00 0.00 -0.243 N ATOM 32 H LIG 1 -2.338 0.410 -3.030 0.00 0.00 +0.192 HD ATOM 33 N LIG 1 -2.731 0.898 -1.101 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 4