REMARK Name = BDB060707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.518 -0.310 0.328 0.00 0.00 -0.299 N ATOM 2 H LIG 1 -2.035 0.319 -0.269 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.339 -1.220 1.010 0.00 0.00 +0.135 A ATOM 4 C LIG 1 -3.742 -1.182 0.858 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -4.479 -2.126 1.551 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -5.802 -1.926 1.276 0.00 0.00 -0.339 N ATOM 7 H LIG 1 -6.541 -2.479 1.681 0.00 0.00 +0.167 HD ATOM 8 C LIG 1 -5.963 -0.865 0.409 0.00 0.00 +0.049 A ATOM 9 N LIG 1 -4.011 -3.085 2.361 0.00 0.00 -0.218 NA ATOM 10 C LIG 1 -2.672 -3.040 2.438 0.00 0.00 +0.225 A ATOM 11 C LIG 1 -4.686 -0.387 0.144 0.00 0.00 +0.041 A ATOM 12 N LIG 1 -1.833 -2.184 1.822 0.00 0.00 -0.220 NA BRANCH 8 13 ATOM 13 C LIG 1 -7.271 -0.403 -0.057 0.00 0.00 -0.002 A ATOM 14 C LIG 1 -7.493 0.962 -0.296 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -8.735 1.418 -0.745 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -9.769 0.503 -0.949 0.00 0.00 +0.088 A ATOM 17 C LIG 1 -9.565 -0.861 -0.737 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -8.318 -1.308 -0.289 0.00 0.00 +0.012 A BRANCH 16 19 ATOM 19 S LIG 1 -11.345 1.078 -1.538 0.00 0.00 -0.006 S ATOM 20 O LIG 1 -11.112 2.304 -2.277 0.00 0.00 -0.170 OA ATOM 21 O LIG 1 -12.018 -0.048 -2.155 0.00 0.00 -0.170 OA ATOM 22 C LIG 1 -12.210 1.487 -0.045 0.00 0.00 +0.200 C ENDBRANCH 16 19 ENDBRANCH 8 13 ENDBRANCH 1 3 BRANCH 1 26 ATOM 23 C LIG 1 2.647 0.510 0.309 0.00 0.00 -0.039 A ATOM 24 C LIG 1 2.115 -0.379 1.248 0.00 0.00 +0.006 A ATOM 25 C LIG 1 0.743 -0.660 1.270 0.00 0.00 +0.023 A ATOM 26 C LIG 1 -0.138 -0.054 0.371 0.00 0.00 +0.032 A ATOM 27 C LIG 1 0.407 0.836 -0.568 0.00 0.00 +0.023 A ATOM 28 C LIG 1 1.777 1.119 -0.600 0.00 0.00 +0.006 A BRANCH 23 29 ATOM 29 C LIG 1 4.128 0.807 0.278 0.00 0.00 +0.131 C BRANCH 29 32 ATOM 30 N LIG 1 5.838 2.493 0.961 0.00 0.00 -0.267 N ATOM 31 H LIG 1 5.997 3.391 1.402 0.00 0.00 +0.156 HD ATOM 32 C LIG 1 4.524 2.134 0.898 0.00 0.00 +0.223 C ATOM 33 O LIG 1 3.698 2.927 1.357 0.00 0.00 -0.275 OA BRANCH 30 37 ATOM 34 C LIG 1 8.590 0.584 -0.288 0.00 0.00 +0.144 A ATOM 35 O LIG 1 9.145 1.704 0.248 0.00 0.00 -0.357 OA ATOM 36 N LIG 1 8.154 2.511 0.759 0.00 0.00 -0.063 NA ATOM 37 C LIG 1 6.995 1.882 0.537 0.00 0.00 +0.168 A ATOM 38 C LIG 1 7.224 0.657 -0.126 0.00 0.00 +0.092 A BRANCH 34 40 ATOM 39 C LIG 1 8.782 -1.626 -1.460 0.00 0.00 +0.019 C ATOM 40 C LIG 1 9.541 -0.411 -0.895 0.00 0.00 +0.023 C ATOM 41 C LIG 1 10.324 0.253 -2.042 0.00 0.00 +0.019 C ATOM 42 C LIG 1 10.528 -0.907 0.177 0.00 0.00 +0.019 C ENDBRANCH 34 40 ENDBRANCH 30 37 ENDBRANCH 29 32 ENDBRANCH 23 29 ENDBRANCH 1 26 TORSDOF 8