REMARK Name = BDB063261 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.744 1.016 -1.629 0.00 0.00 +0.147 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.248 -0.066 -1.823 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.204 -0.663 -3.163 0.00 0.00 +0.131 C BRANCH 2 8 ATOM 4 C LIG 1 -3.786 -0.308 -0.947 0.00 0.00 +0.225 A ATOM 5 N LIG 1 -4.130 0.968 -0.715 0.00 0.00 -0.201 NA ATOM 6 C LIG 1 -3.143 1.851 -0.868 0.00 0.00 +0.227 A ATOM 7 N LIG 1 -1.879 1.573 -1.225 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -1.567 0.286 -1.457 0.00 0.00 +0.128 A ATOM 9 C LIG 1 -2.518 -0.706 -1.308 0.00 0.00 +0.111 A BRANCH 4 10 ATOM 10 O LIG 1 -4.717 -1.330 -0.778 0.00 0.00 -0.438 OA BRANCH 10 14 ATOM 11 C LIG 1 -8.773 -0.380 -0.620 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -8.044 -0.129 -1.787 0.00 0.00 +0.049 A ATOM 13 C LIG 1 -6.681 -0.427 -1.854 0.00 0.00 +0.050 A ATOM 14 C LIG 1 -6.041 -0.966 -0.739 0.00 0.00 +0.131 A ATOM 15 C LIG 1 -6.762 -1.241 0.421 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -8.127 -0.942 0.484 0.00 0.00 +0.049 A BRANCH 11 18 ATOM 17 C LIG 1 -10.872 -0.234 0.485 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -10.097 -0.043 -0.691 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 10 14 ENDBRANCH 4 10 ENDBRANCH 2 8 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 1.030 1.289 -0.144 0.00 0.00 +0.248 C BRANCH 19 20 ATOM 20 O LIG 1 2.251 2.021 0.020 0.00 0.00 -0.490 OA BRANCH 20 21 ATOM 21 C LIG 1 3.422 1.322 0.117 0.00 0.00 +0.121 A ATOM 22 C LIG 1 3.579 -0.056 -0.024 0.00 0.00 +0.046 A ATOM 23 C LIG 1 4.846 -0.637 0.094 0.00 0.00 +0.007 A ATOM 24 C LIG 1 5.976 0.152 0.347 0.00 0.00 -0.046 A ATOM 25 C LIG 1 5.814 1.534 0.485 0.00 0.00 +0.007 A ATOM 26 C LIG 1 4.547 2.110 0.369 0.00 0.00 +0.046 A BRANCH 24 27 ATOM 27 C LIG 1 7.338 -0.490 0.492 0.00 0.00 +0.059 C BRANCH 27 28 ATOM 28 C LIG 1 7.610 -0.940 1.929 0.00 0.00 +0.146 C ATOM 29 C LIG 1 8.364 0.105 2.733 0.00 0.00 +0.234 C ATOM 30 O LIG 1 8.131 1.306 2.745 0.00 0.00 -0.274 OA ATOM 31 N LIG 1 9.369 -0.449 3.467 0.00 0.00 -0.246 N ATOM 32 H LIG 1 9.978 0.143 4.010 0.00 0.00 +0.158 HD ATOM 33 C LIG 1 9.797 -1.684 3.120 0.00 0.00 +0.279 C ATOM 34 O LIG 1 10.825 -2.212 3.507 0.00 0.00 -0.263 OA ATOM 35 S LIG 1 8.705 -2.407 1.970 0.00 0.00 -0.054 S ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10