REMARK Name = BDB042159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.284 -0.645 2.745 0.00 0.00 +0.120 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.424 -0.329 -0.502 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.899 0.927 -0.258 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.355 2.009 -0.567 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.663 0.731 0.509 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.529 -0.630 0.771 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.444 -1.101 1.492 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.485 -0.175 1.945 0.00 0.00 -0.033 A ATOM 9 C LIG 1 1.651 1.204 1.667 0.00 0.00 +0.005 A ATOM 10 C LIG 1 2.749 1.670 0.943 0.00 0.00 +0.014 A ATOM 11 C LIG 1 4.685 -1.374 0.194 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 9.351 2.511 -2.000 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.548 1.611 -1.760 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.656 0.874 -0.611 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.380 1.173 0.028 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.845 -0.137 -0.164 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.996 -0.611 0.963 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.728 -0.601 -1.098 0.00 0.00 +0.163 C ATOM 19 C LIG 1 6.906 -0.136 -2.542 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.405 1.290 -2.689 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -0.985 -0.277 2.114 0.00 0.00 -0.292 NA ATOM 22 C LIG 1 -2.165 -0.613 2.962 0.00 0.00 +0.073 C ATOM 23 C LIG 1 -3.368 0.172 2.383 0.00 0.00 +0.104 C ATOM 24 N LIG 1 -3.762 -0.639 1.194 0.00 0.00 -0.286 NA ATOM 25 C LIG 1 -2.659 -1.639 1.090 0.00 0.00 +0.073 C ATOM 26 C LIG 1 -2.528 -2.030 2.555 0.00 0.00 +0.040 C ATOM 27 C LIG 1 -1.251 -1.031 0.857 0.00 0.00 +0.104 C BRANCH 24 28 ATOM 28 C LIG 1 -3.959 0.200 -0.012 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -5.128 1.185 0.139 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -5.025 2.476 -0.406 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.081 3.384 -0.296 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.256 3.013 0.354 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.379 1.735 0.892 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.325 0.826 0.783 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.128 -0.627 -1.291 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -5.068 -1.669 -1.377 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.213 -2.406 -2.553 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.423 -2.112 -3.662 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -3.490 -1.080 -3.598 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -3.344 -0.341 -2.422 0.00 0.00 +0.005 A ENDBRANCH 28 35 ENDBRANCH 24 28 ENDBRANCH 1 21 TORSDOF 6