REMARK Name = BDB047566 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.567 -1.001 2.515 0.00 0.00 +0.235 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.176 0.204 2.309 0.00 0.00 -0.492 OA BRANCH 2 7 ATOM 3 C LIG 1 -5.509 -0.104 0.469 0.00 0.00 +0.033 C ATOM 4 C LIG 1 -4.090 0.136 0.929 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -3.442 -1.081 1.172 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -2.135 -1.128 1.641 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -1.462 0.075 1.859 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -2.118 1.296 1.623 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -4.354 -2.239 0.911 0.00 0.00 +0.036 C ATOM 10 C LIG 1 -3.438 1.335 1.165 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -5.435 -1.585 0.038 0.00 0.00 +0.013 C BRANCH 3 12 ATOM 12 C LIG 1 -6.083 0.915 -0.535 0.00 0.00 +0.105 C BRANCH 12 14 ATOM 13 C LIG 1 -7.706 -0.386 -2.112 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -7.524 0.636 -0.999 0.00 0.00 +0.012 C ENDBRANCH 12 14 BRANCH 12 15 ATOM 15 C LIG 1 -5.182 1.285 -1.696 0.00 0.00 +0.308 C ATOM 16 O LIG 1 -5.003 2.423 -2.106 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 -4.603 0.249 -2.321 0.00 0.00 -0.480 OA ATOM 18 H LIG 1 -4.053 0.667 -3.016 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 3 12 ENDBRANCH 2 7 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 1.985 -0.636 2.950 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 2.827 -0.176 1.813 0.00 0.00 +0.086 A ATOM 21 C LIG 1 2.881 1.055 1.194 0.00 0.00 +0.126 A ATOM 22 C LIG 1 2.181 2.339 1.365 0.00 0.00 +0.088 C ATOM 23 O LIG 1 3.805 0.979 0.191 0.00 0.00 -0.440 OA ATOM 24 C LIG 1 4.288 -0.301 0.266 0.00 0.00 +0.228 A ATOM 25 N LIG 1 3.714 -1.035 1.202 0.00 0.00 -0.214 NA BRANCH 24 26 ATOM 26 C LIG 1 5.267 -0.703 -0.745 0.00 0.00 +0.045 A ATOM 27 C LIG 1 6.341 0.127 -1.188 0.00 0.00 -0.006 A ATOM 28 C LIG 1 7.204 -0.370 -2.202 0.00 0.00 -0.017 A ATOM 29 C LIG 1 8.268 0.415 -2.675 0.00 0.00 +0.008 A ATOM 30 C LIG 1 8.513 1.685 -2.157 0.00 0.00 +0.001 A ATOM 31 C LIG 1 7.698 2.184 -1.152 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.004 -1.653 -2.732 0.00 0.00 +0.008 A ATOM 33 C LIG 1 5.972 -2.465 -2.274 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.633 1.417 -0.673 0.00 0.00 +0.009 A ATOM 35 C LIG 1 5.115 -1.994 -1.287 0.00 0.00 +0.014 A ENDBRANCH 24 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 9