REMARK Name = BDB031190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.720 -1.510 0.755 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -0.527 -0.163 0.561 0.00 0.00 -0.346 N ATOM 3 H LIG 1 -1.105 0.562 0.976 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 0.490 -0.007 -0.337 0.00 0.00 +0.117 A ATOM 5 C LIG 1 0.905 -1.288 -0.658 0.00 0.00 +0.143 A ATOM 6 N LIG 1 0.129 -2.208 0.027 0.00 0.00 -0.226 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 1.944 -1.677 -1.622 0.00 0.00 +0.266 C ATOM 8 N LIG 1 3.145 -0.933 -1.624 0.00 0.00 -0.296 N ATOM 9 C LIG 1 4.104 -1.288 -2.667 0.00 0.00 +0.110 C ATOM 10 C LIG 1 5.122 -0.181 -2.906 0.00 0.00 +0.041 C ATOM 11 C LIG 1 5.809 0.217 -1.595 0.00 0.00 +0.073 C ATOM 12 C LIG 1 4.749 0.632 -0.570 0.00 0.00 +0.041 C ATOM 13 C LIG 1 3.737 -0.487 -0.362 0.00 0.00 +0.110 C ATOM 14 O LIG 1 1.755 -2.598 -2.416 0.00 0.00 -0.268 OA BRANCH 11 15 ATOM 15 N LIG 1 6.729 1.323 -1.870 0.00 0.00 -0.341 N ATOM 16 H LIG 1 6.280 2.114 -2.327 0.00 0.00 +0.146 HD BRANCH 15 17 ATOM 17 C LIG 1 7.695 1.732 -0.950 0.00 0.00 +0.027 A ATOM 18 C LIG 1 8.291 2.991 -1.124 0.00 0.00 +0.023 A ATOM 19 C LIG 1 9.305 3.446 -0.275 0.00 0.00 +0.002 A ATOM 20 C LIG 1 9.763 2.633 0.756 0.00 0.00 +0.000 A ATOM 21 C LIG 1 9.216 1.365 0.923 0.00 0.00 +0.002 A ATOM 22 C LIG 1 8.202 0.916 0.068 0.00 0.00 +0.023 A ENDBRANCH 15 17 ENDBRANCH 11 15 ENDBRANCH 5 7 BRANCH 1 25 ATOM 23 C LIG 1 -3.692 -0.520 1.177 0.00 0.00 +0.227 C ATOM 24 N LIG 1 -3.105 -1.767 1.105 0.00 0.00 -0.288 N ATOM 25 C LIG 1 -1.786 -2.028 1.678 0.00 0.00 +0.144 C ATOM 26 C LIG 1 -1.751 -3.547 1.824 0.00 0.00 +0.063 C ATOM 27 C LIG 1 -2.548 -4.034 0.617 0.00 0.00 +0.134 C ATOM 28 C LIG 1 -3.639 -2.969 0.470 0.00 0.00 +0.140 C ATOM 29 O LIG 1 -3.068 0.427 1.669 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 O LIG 1 -3.103 -5.316 0.867 0.00 0.00 -0.390 OA ATOM 31 H LIG 1 -2.359 -5.945 0.887 0.00 0.00 +0.210 HD ENDBRANCH 27 30 BRANCH 23 32 ATOM 32 C LIG 1 -5.141 -0.384 0.679 0.00 0.00 +0.146 C BRANCH 32 36 ATOM 33 C LIG 1 -5.656 3.037 -0.585 0.00 0.00 +0.255 A ATOM 34 N LIG 1 -6.286 2.290 -1.493 0.00 0.00 -0.040 NA ATOM 35 O LIG 1 -6.115 0.983 -1.065 0.00 0.00 -0.355 OA ATOM 36 C LIG 1 -5.386 0.970 0.092 0.00 0.00 +0.153 A ATOM 37 C LIG 1 -5.072 2.268 0.430 0.00 0.00 +0.115 A BRANCH 33 39 ATOM 38 C LIG 1 -6.342 4.927 -1.767 0.00 0.00 +0.279 C ATOM 39 O LIG 1 -5.608 4.385 -0.674 0.00 0.00 -0.478 OA ENDBRANCH 33 39 ENDBRANCH 32 36 BRANCH 32 40 ATOM 40 C LIG 1 -6.142 -0.776 1.796 0.00 0.00 +0.002 C ATOM 41 C LIG 1 -7.556 -0.979 1.240 0.00 0.00 +0.008 C ATOM 42 C LIG 1 -6.186 0.204 2.974 0.00 0.00 +0.008 C ENDBRANCH 32 40 ENDBRANCH 23 32 ENDBRANCH 1 25 TORSDOF 9