REMARK Name = BDB057151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.255 1.515 -2.033 0.00 0.00 +0.223 C ATOM 2 N LIG 1 2.711 0.464 -1.327 0.00 0.00 -0.264 N ATOM 3 H LIG 1 1.720 0.280 -1.361 0.00 0.00 +0.157 HD ATOM 4 O LIG 1 4.435 1.855 -2.043 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 3.444 -0.324 -0.487 0.00 0.00 +0.165 A ATOM 6 S LIG 1 2.525 -1.508 0.333 0.00 0.00 -0.060 S ATOM 7 C LIG 1 3.956 -2.033 1.123 0.00 0.00 +0.077 A ATOM 8 C LIG 1 5.030 -1.273 0.700 0.00 0.00 +0.082 A ATOM 9 N LIG 1 4.723 -0.301 -0.233 0.00 0.00 -0.225 NA BRANCH 8 10 ATOM 10 C LIG 1 6.417 -1.404 1.165 0.00 0.00 +0.027 A ATOM 11 C LIG 1 7.518 -0.596 0.747 0.00 0.00 +0.028 A ATOM 12 C LIG 1 8.632 -1.050 1.448 0.00 0.00 +0.139 A ATOM 13 N LIG 1 9.897 -0.588 1.382 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 10.036 0.433 0.507 0.00 0.00 +0.113 A ATOM 15 C LIG 1 9.021 0.988 -0.260 0.00 0.00 +0.020 A ATOM 16 N LIG 1 8.238 -2.081 2.253 0.00 0.00 -0.345 N ATOM 17 H LIG 1 8.870 -2.581 2.860 0.00 0.00 +0.167 HD ATOM 18 C LIG 1 7.729 0.474 -0.144 0.00 0.00 +0.014 A ATOM 19 C LIG 1 6.895 -2.315 2.091 0.00 0.00 +0.095 A ENDBRANCH 8 10 ENDBRANCH 2 5 BRANCH 1 20 ATOM 20 C LIG 1 2.243 2.245 -2.911 0.00 0.00 +0.131 C BRANCH 20 23 ATOM 21 C LIG 1 -1.446 1.964 -1.985 0.00 0.00 +0.121 A ATOM 22 C LIG 1 -0.233 1.788 -2.653 0.00 0.00 +0.049 A ATOM 23 C LIG 1 0.910 2.494 -2.247 0.00 0.00 -0.035 A ATOM 24 C LIG 1 0.806 3.407 -1.190 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -0.420 3.609 -0.550 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -1.546 2.889 -0.947 0.00 0.00 +0.045 A BRANCH 21 27 ATOM 27 O LIG 1 -2.512 1.236 -2.440 0.00 0.00 -0.492 OA BRANCH 27 28 ATOM 28 C LIG 1 -3.179 0.514 -1.394 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 C LIG 1 -4.135 -0.478 -2.048 0.00 0.00 +0.056 C BRANCH 29 30 ATOM 30 C LIG 1 -4.621 -1.615 -1.139 0.00 0.00 +0.088 C BRANCH 30 35 ATOM 31 C LIG 1 -7.910 0.238 1.843 0.00 0.00 +0.105 C ATOM 32 N LIG 1 -7.208 -0.967 2.293 0.00 0.00 -0.303 NA ATOM 33 C LIG 1 -7.468 -2.099 1.378 0.00 0.00 +0.099 C ATOM 34 C LIG 1 -6.342 -2.432 0.359 0.00 0.00 +0.100 C ATOM 35 N LIG 1 -5.613 -1.241 -0.121 0.00 0.00 -0.300 NA ATOM 36 C LIG 1 -5.035 -0.511 1.028 0.00 0.00 +0.100 C ATOM 37 C LIG 1 -5.758 -0.732 2.387 0.00 0.00 +0.099 C ENDBRANCH 30 35 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 20 23 ENDBRANCH 1 20 TORSDOF 9