REMARK Name = BDB059999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.909 1.765 0.499 0.00 0.00 +0.172 C ENDROOT BRANCH 1 9 ATOM 2 C LIG 1 4.045 -1.017 -0.739 0.00 0.00 -0.015 A ATOM 3 C LIG 1 3.829 -0.862 0.633 0.00 0.00 +0.014 A ATOM 4 C LIG 1 2.614 -0.346 1.132 0.00 0.00 -0.025 A ATOM 5 C LIG 1 2.455 -0.230 2.622 0.00 0.00 +0.038 C ATOM 6 C LIG 1 0.994 -0.378 2.979 0.00 0.00 +0.024 C ATOM 7 C LIG 1 0.190 0.662 2.220 0.00 0.00 +0.114 C ATOM 8 N LIG 1 0.363 0.633 0.760 0.00 0.00 -0.270 N ATOM 9 C LIG 1 -0.486 1.413 -0.059 0.00 0.00 +0.241 C ATOM 10 O LIG 1 -0.177 1.828 -1.185 0.00 0.00 -0.273 OA ATOM 11 C LIG 1 1.597 0.074 0.251 0.00 0.00 +0.040 A ATOM 12 C LIG 1 1.817 -0.120 -1.121 0.00 0.00 +0.024 A ATOM 13 C LIG 1 3.019 -0.652 -1.609 0.00 0.00 +0.010 A BRANCH 2 18 ATOM 14 C LIG 1 8.836 -2.214 -1.267 0.00 0.00 +0.172 C ATOM 15 N LIG 1 7.415 -2.077 -1.470 0.00 0.00 -0.274 N ATOM 16 N LIG 1 6.851 -2.603 -2.571 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 5.560 -2.284 -2.441 0.00 0.00 +0.142 A ATOM 18 C LIG 1 5.288 -1.562 -1.255 0.00 0.00 +0.020 A ATOM 19 C LIG 1 6.524 -1.445 -0.651 0.00 0.00 +0.116 A ENDBRANCH 2 18 ENDBRANCH 1 9 BRANCH 1 20 ATOM 20 C LIG 1 -1.891 2.996 1.398 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -2.708 3.031 2.541 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -2.713 4.145 3.381 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -1.911 5.245 3.084 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -1.113 5.236 1.942 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.108 4.123 1.100 0.00 0.00 +0.005 A ENDBRANCH 1 20 BRANCH 1 26 ATOM 26 N LIG 1 -2.857 2.007 -0.623 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -2.355 2.619 -1.276 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.224 0.785 -1.349 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.279 -0.051 -0.610 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.697 -1.259 -1.416 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -5.818 -1.197 -2.255 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.196 -2.308 -3.014 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.454 -3.491 -2.944 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -4.331 -3.556 -2.114 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -3.953 -2.445 -1.355 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -5.842 -4.631 -3.721 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.156 -5.556 -4.348 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 8