REMARK Name = BDB047570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.962 0.536 0.722 0.00 0.00 +0.033 C ATOM 2 C LIG 1 -2.840 -0.403 0.346 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -1.599 0.243 0.395 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -0.422 -0.412 0.058 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -0.489 -1.756 -0.313 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -1.733 -2.411 -0.333 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -1.754 1.665 0.829 0.00 0.00 +0.036 C ATOM 8 C LIG 1 -2.914 -1.740 -0.003 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -3.139 1.611 1.487 0.00 0.00 +0.013 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -4.712 1.125 -0.497 0.00 0.00 +0.105 C BRANCH 10 12 ATOM 11 C LIG 1 -6.507 -0.731 -0.652 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -5.456 0.101 -1.376 0.00 0.00 +0.012 C ENDBRANCH 10 12 BRANCH 10 13 ATOM 13 C LIG 1 -5.705 2.175 -0.041 0.00 0.00 +0.308 C ATOM 14 O LIG 1 -6.301 2.210 1.022 0.00 0.00 -0.251 OA BRANCH 13 15 ATOM 15 O LIG 1 -5.910 3.129 -0.970 0.00 0.00 -0.480 OA ATOM 16 H LIG 1 -6.574 3.723 -0.561 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 5 17 ATOM 17 O LIG 1 0.568 -2.553 -0.661 0.00 0.00 -0.492 OA BRANCH 17 18 ATOM 18 C LIG 1 1.865 -1.959 -0.757 0.00 0.00 +0.235 C BRANCH 18 19 ATOM 19 C LIG 1 2.574 -1.977 0.595 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 3.934 -1.391 0.516 0.00 0.00 +0.086 A ATOM 21 C LIG 1 5.163 -2.012 0.515 0.00 0.00 +0.126 A ATOM 22 C LIG 1 5.628 -3.407 0.590 0.00 0.00 +0.088 C ATOM 23 O LIG 1 6.120 -1.043 0.429 0.00 0.00 -0.438 OA ATOM 24 C LIG 1 5.422 0.140 0.378 0.00 0.00 +0.264 A ATOM 25 N LIG 1 4.109 -0.028 0.424 0.00 0.00 -0.211 NA BRANCH 24 26 ATOM 26 C LIG 1 6.058 1.423 0.282 0.00 0.00 +0.189 A ATOM 27 O LIG 1 7.421 1.585 0.227 0.00 0.00 -0.458 OA ATOM 28 C LIG 1 7.677 2.914 0.140 0.00 0.00 +0.196 A ATOM 29 C LIG 1 6.506 3.631 0.137 0.00 0.00 +0.042 A ATOM 30 C LIG 1 5.466 2.675 0.228 0.00 0.00 +0.055 A ENDBRANCH 24 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 5 17 TORSDOF 9