REMARK Name = BDB034139 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.318 0.284 1.001 0.00 0.00 +0.176 C ATOM 2 C LIG 1 -3.255 1.575 0.163 0.00 0.00 +0.063 C ATOM 3 C LIG 1 -1.922 2.290 0.325 0.00 0.00 +0.111 C ATOM 4 N LIG 1 -0.818 1.433 -0.095 0.00 0.00 -0.297 N ATOM 5 C LIG 1 0.361 2.039 -0.520 0.00 0.00 +0.247 C ATOM 6 O LIG 1 0.589 3.240 -0.396 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -0.973 -0.010 0.117 0.00 0.00 +0.111 C ATOM 8 C LIG 1 -1.922 -0.295 1.276 0.00 0.00 +0.063 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 1.392 1.197 -1.167 0.00 0.00 +0.037 A ATOM 10 C LIG 1 2.699 1.218 -0.671 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.708 0.441 -1.270 0.00 0.00 -0.002 A ATOM 12 C LIG 1 3.361 -0.361 -2.377 0.00 0.00 +0.124 A ATOM 13 C LIG 1 2.064 -0.334 -2.903 0.00 0.00 +0.046 A ATOM 14 C LIG 1 1.077 0.441 -2.297 0.00 0.00 +0.016 A BRANCH 11 15 ATOM 15 C LIG 1 5.127 0.458 -0.714 0.00 0.00 +0.023 C ATOM 16 C LIG 1 5.212 -0.166 0.694 0.00 0.00 +0.008 C ATOM 17 C LIG 1 5.386 0.864 1.810 0.00 0.00 +0.004 C ATOM 18 C LIG 1 6.607 1.800 1.618 0.00 0.00 -0.006 C ATOM 19 C LIG 1 6.987 1.936 0.125 0.00 0.00 +0.004 C ATOM 20 C LIG 1 5.759 1.859 -0.778 0.00 0.00 +0.008 C BRANCH 18 21 ATOM 21 C LIG 1 7.833 1.476 2.551 0.00 0.00 -0.035 C ATOM 22 C LIG 1 8.326 0.026 2.392 0.00 0.00 +0.011 C ATOM 23 C LIG 1 9.013 2.425 2.247 0.00 0.00 +0.011 C ATOM 24 C LIG 1 7.446 1.697 4.032 0.00 0.00 +0.011 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 12 25 ATOM 25 O LIG 1 4.350 -1.108 -2.965 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 4.027 -2.486 -3.152 0.00 0.00 +0.188 C ATOM 27 C LIG 1 3.892 -3.290 -1.848 0.00 0.00 +0.125 C ATOM 28 N LIG 1 4.741 -4.483 -1.985 0.00 0.00 -0.312 NA ATOM 29 H LIG 1 4.268 -5.315 -1.636 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 5.060 -4.608 -3.405 0.00 0.00 +0.084 C ATOM 31 C LIG 1 5.191 -3.170 -3.858 0.00 0.00 +0.061 C ENDBRANCH 25 26 ENDBRANCH 12 25 ENDBRANCH 5 9 BRANCH 1 32 ATOM 32 O LIG 1 -4.054 -0.754 0.326 0.00 0.00 -0.488 OA BRANCH 32 34 ATOM 33 C LIG 1 -5.780 -0.692 -1.299 0.00 0.00 +0.079 A ATOM 34 C LIG 1 -5.355 -0.465 0.012 0.00 0.00 +0.135 A ATOM 35 C LIG 1 -6.274 -0.013 0.969 0.00 0.00 +0.069 A ATOM 36 C LIG 1 -7.604 0.286 0.624 0.00 0.00 +0.033 A ATOM 37 C LIG 1 -7.988 0.074 -0.714 0.00 0.00 +0.024 A ATOM 38 C LIG 1 -7.090 -0.404 -1.673 0.00 0.00 +0.018 A BRANCH 36 39 ATOM 39 N LIG 1 -8.557 0.743 1.549 0.00 0.00 -0.327 N ATOM 40 C LIG 1 -9.182 2.041 1.191 0.00 0.00 +0.120 C ATOM 41 C LIG 1 -10.392 2.341 2.108 0.00 0.00 +0.100 C ATOM 42 N LIG 1 -10.079 2.279 3.551 0.00 0.00 -0.313 NA ATOM 43 H LIG 1 -9.369 2.983 3.751 0.00 0.00 +0.122 HD ATOM 44 C LIG 1 -9.505 0.950 3.841 0.00 0.00 +0.100 C ATOM 45 C LIG 1 -8.256 0.622 2.990 0.00 0.00 +0.120 C ENDBRANCH 36 39 BRANCH 33 48 ATOM 46 C LIG 1 -3.414 -2.925 -3.254 0.00 0.00 +0.132 C ATOM 47 N LIG 1 -4.457 -2.507 -2.336 0.00 0.00 -0.304 N ATOM 48 C LIG 1 -4.845 -1.167 -2.338 0.00 0.00 +0.250 C ATOM 49 O LIG 1 -4.471 -0.345 -3.173 0.00 0.00 -0.270 OA ATOM 50 C LIG 1 -4.845 -3.471 -1.317 0.00 0.00 +0.132 C ENDBRANCH 33 48 ENDBRANCH 32 34 ENDBRANCH 1 32 TORSDOF 9