REMARK Name = BDB059877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.802 -2.136 -0.097 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -3.654 -1.430 0.257 0.00 0.00 -0.296 N ATOM 3 C LIG 1 -2.364 -1.993 -0.148 0.00 0.00 +0.130 C ATOM 4 C LIG 1 -1.225 -0.957 -0.109 0.00 0.00 +0.090 C ATOM 5 C LIG 1 -1.091 -0.343 1.296 0.00 0.00 +0.025 C ATOM 6 C LIG 1 -2.397 -0.356 2.094 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -3.628 -0.304 1.195 0.00 0.00 +0.108 C ATOM 8 O LIG 1 -4.770 -3.252 -0.613 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 -8.686 -0.450 0.598 0.00 0.00 +0.034 A ATOM 10 C LIG 1 -8.385 -1.759 1.000 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -7.116 -2.302 0.775 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -6.131 -1.531 0.154 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -6.430 -0.237 -0.278 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -7.700 0.303 -0.046 0.00 0.00 +0.024 A BRANCH 9 16 ATOM 15 C LIG 1 -10.498 1.275 0.593 0.00 0.00 +0.241 C ATOM 16 N LIG 1 -9.989 0.021 0.866 0.00 0.00 -0.282 N ATOM 17 H LIG 1 -10.607 -0.643 1.312 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -9.908 2.219 0.084 0.00 0.00 -0.271 OA BRANCH 15 20 ATOM 19 C LIG 1 -12.596 2.541 0.829 0.00 0.00 +0.013 C ATOM 20 C LIG 1 -11.927 1.394 1.008 0.00 0.00 +0.060 C ENDBRANCH 15 20 ENDBRANCH 9 16 ENDBRANCH 1 12 BRANCH 4 21 ATOM 21 N LIG 1 0.034 -1.573 -0.514 0.00 0.00 -0.319 N ATOM 22 H LIG 1 0.269 -2.459 -0.083 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.047 -0.806 -0.972 0.00 0.00 +0.159 A ATOM 24 S LIG 1 2.626 -1.479 -1.136 0.00 0.00 -0.046 S ATOM 25 C LIG 1 3.205 0.021 -1.712 0.00 0.00 +0.067 A ATOM 26 C LIG 1 2.170 0.929 -1.752 0.00 0.00 +0.135 A ATOM 27 N LIG 1 0.948 0.459 -1.310 0.00 0.00 -0.232 NA BRANCH 25 28 ATOM 28 S LIG 1 4.871 0.287 -2.176 0.00 0.00 -0.107 S BRANCH 28 29 ATOM 29 C LIG 1 5.458 1.181 -0.701 0.00 0.00 +0.170 C BRANCH 29 30 ATOM 30 C LIG 1 6.890 1.550 -0.833 0.00 0.00 +0.206 A ATOM 31 O LIG 1 7.806 0.589 -0.497 0.00 0.00 -0.443 OA ATOM 32 C LIG 1 9.021 1.187 -0.709 0.00 0.00 +0.131 A ATOM 33 C LIG 1 8.771 2.471 -1.141 0.00 0.00 +0.156 A ATOM 34 N LIG 1 7.420 2.697 -1.208 0.00 0.00 -0.221 NA BRANCH 32 35 ATOM 35 C LIG 1 10.248 0.364 -0.440 0.00 0.00 +0.022 C ATOM 36 C LIG 1 10.277 -0.055 1.040 0.00 0.00 +0.019 C ATOM 37 C LIG 1 10.233 -0.894 -1.327 0.00 0.00 +0.019 C ATOM 38 C LIG 1 11.525 1.167 -0.749 0.00 0.00 +0.019 C ENDBRANCH 32 35 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 23 ENDBRANCH 4 21 TORSDOF 9