REMARK Name = BDB034029 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.272 0.410 -0.505 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.130 0.356 0.573 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.721 0.276 1.498 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.660 0.579 -1.656 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 1.221 0.385 -0.119 0.00 0.00 +0.165 C BRANCH 5 7 ATOM 6 C LIG 1 1.374 -1.592 1.533 0.00 0.00 +0.213 C ATOM 7 N LIG 1 1.442 -0.277 1.178 0.00 0.00 -0.304 N ATOM 8 H LIG 1 1.820 0.294 1.925 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 1.610 -1.880 2.705 0.00 0.00 -0.276 OA BRANCH 6 11 ATOM 10 C LIG 1 0.669 -3.974 1.110 0.00 0.00 +0.013 C ATOM 11 C LIG 1 0.998 -2.624 0.492 0.00 0.00 +0.092 C ENDBRANCH 6 11 ENDBRANCH 5 7 BRANCH 5 12 ATOM 12 C LIG 1 2.085 -0.078 -1.299 0.00 0.00 +0.094 C BRANCH 12 13 ATOM 13 C LIG 1 3.546 -0.074 -0.972 0.00 0.00 +0.082 A ATOM 14 S LIG 1 4.455 1.382 -1.049 0.00 0.00 -0.072 S ATOM 15 C LIG 1 5.860 0.532 -0.529 0.00 0.00 +0.039 A ATOM 16 C LIG 1 5.535 -0.814 -0.349 0.00 0.00 +0.078 A ATOM 17 C LIG 1 6.542 -1.700 0.075 0.00 0.00 +0.029 A ATOM 18 C LIG 1 7.838 -1.223 0.313 0.00 0.00 +0.006 A ATOM 19 C LIG 1 8.156 0.131 0.135 0.00 0.00 -0.044 A ATOM 20 C LIG 1 7.157 1.022 -0.296 0.00 0.00 +0.021 A ATOM 21 N LIG 1 4.216 -1.146 -0.611 0.00 0.00 -0.244 NA BRANCH 19 22 ATOM 22 C LIG 1 9.558 0.657 0.403 0.00 0.00 +0.013 C ATOM 23 C LIG 1 9.948 0.478 1.872 0.00 0.00 +0.012 C ATOM 24 C LIG 1 10.593 0.010 -0.520 0.00 0.00 +0.012 C ENDBRANCH 19 22 ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 1 5 BRANCH 2 25 ATOM 25 C LIG 1 -2.585 0.497 0.442 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.276 -0.262 1.618 0.00 0.00 +0.011 C ATOM 27 C LIG 1 -4.808 -0.109 1.690 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.520 -1.102 0.781 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -5.236 -2.548 1.192 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -3.975 -2.700 2.043 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -2.869 -1.761 1.576 0.00 0.00 +0.005 C ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -2.943 2.000 0.342 0.00 0.00 +0.126 C BRANCH 32 33 ATOM 33 N LIG 1 -4.187 2.255 -0.358 0.00 0.00 -0.313 N ATOM 34 H LIG 1 -4.487 1.616 -1.093 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -4.810 3.486 -0.319 0.00 0.00 +0.219 C ATOM 36 O LIG 1 -4.391 4.396 0.401 0.00 0.00 -0.275 OA BRANCH 35 37 ATOM 37 C LIG 1 -6.052 3.617 -1.238 0.00 0.00 +0.103 C ATOM 38 C LIG 1 -7.144 2.525 -1.142 0.00 0.00 +0.098 C ATOM 39 N LIG 1 -6.491 1.846 -2.293 0.00 0.00 -0.304 NA ATOM 40 C LIG 1 -7.495 1.382 -3.249 0.00 0.00 +0.104 C ATOM 41 C LIG 1 -5.934 3.159 -2.713 0.00 0.00 +0.098 C ENDBRANCH 35 37 ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 2 25 TORSDOF 11