REMARK Name = BDB034258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.220 -0.084 -0.412 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.503 0.379 0.678 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.849 1.174 1.528 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.175 -0.240 0.606 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.118 -1.007 -0.553 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -1.964 -1.702 -0.869 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.859 -1.600 -0.012 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -0.936 -0.824 1.160 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -2.108 -0.128 1.478 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -4.405 -0.904 -1.297 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -8.368 3.462 1.314 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.832 2.534 0.714 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -7.146 2.765 -0.450 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -7.061 3.736 -0.715 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.451 1.871 -1.223 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.753 2.261 -2.161 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -6.534 0.396 -0.827 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -7.684 0.086 0.128 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.881 1.115 1.225 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 0.227 -2.327 -0.414 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 1.539 -1.912 0.015 0.00 0.00 +0.190 C ATOM 22 C LIG 1 1.999 -0.635 -0.758 0.00 0.00 +0.097 C ATOM 23 C LIG 1 2.120 -0.976 -2.263 0.00 0.00 +0.022 C ATOM 24 C LIG 1 3.054 -2.155 -2.532 0.00 0.00 +0.002 C ATOM 25 C LIG 1 2.639 -3.394 -1.744 0.00 0.00 +0.004 C ATOM 26 C LIG 1 2.484 -3.097 -0.253 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 3.292 -0.137 -0.236 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 3.136 0.490 1.101 0.00 0.00 +0.094 C ATOM 29 C LIG 1 4.056 1.643 0.629 0.00 0.00 +0.047 C ATOM 30 C LIG 1 3.631 1.196 -0.793 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 5.602 1.614 1.038 0.00 0.00 -0.042 A ATOM 32 C LIG 1 6.178 2.662 1.786 0.00 0.00 +0.004 A ATOM 33 C LIG 1 7.528 2.660 2.153 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.349 1.602 1.780 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.819 0.548 1.046 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.468 0.557 0.684 0.00 0.00 +0.004 A ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5