REMARK Name = BDB003734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.289 0.363 -0.106 0.00 0.00 +0.179 A ATOM 2 C LIG 1 -1.676 0.354 0.142 0.00 0.00 +0.165 A ATOM 3 N LIG 1 -2.327 -0.818 0.309 0.00 0.00 -0.227 NA ATOM 4 C LIG 1 -1.593 -1.948 0.262 0.00 0.00 +0.091 A ATOM 5 C LIG 1 -0.190 -1.911 0.069 0.00 0.00 +0.091 A ATOM 6 C LIG 1 0.522 -3.104 0.048 0.00 0.00 +0.030 A ATOM 7 C LIG 1 -0.119 -4.333 0.205 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.495 -4.370 0.390 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.219 -3.178 0.418 0.00 0.00 +0.030 A ATOM 10 N LIG 1 0.465 -0.749 -0.092 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 0.415 1.592 -0.235 0.00 0.00 -0.197 N ATOM 12 H LIG 1 -0.172 2.422 -0.280 0.00 0.00 +0.175 HD BRANCH 11 13 ATOM 13 S LIG 1 1.552 1.680 -1.472 0.00 0.00 +0.074 S ATOM 14 O LIG 1 1.900 3.085 -1.559 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 1.047 0.982 -2.635 0.00 0.00 -0.150 OA BRANCH 13 19 ATOM 16 C LIG 1 5.260 -0.455 0.151 0.00 0.00 +0.033 A ATOM 17 C LIG 1 4.506 -1.031 -0.876 0.00 0.00 +0.025 A ATOM 18 C LIG 1 3.369 -0.383 -1.373 0.00 0.00 +0.030 A ATOM 19 C LIG 1 2.976 0.841 -0.832 0.00 0.00 +0.109 A ATOM 20 C LIG 1 3.728 1.439 0.181 0.00 0.00 +0.030 A ATOM 21 C LIG 1 4.865 0.788 0.669 0.00 0.00 +0.025 A BRANCH 16 24 ATOM 22 C LIG 1 8.221 -2.562 1.179 0.00 0.00 +0.109 C ATOM 23 C LIG 1 6.968 -2.271 0.389 0.00 0.00 +0.214 C ATOM 24 N LIG 1 6.416 -1.043 0.705 0.00 0.00 -0.286 N ATOM 25 H LIG 1 6.879 -0.509 1.429 0.00 0.00 +0.155 HD ATOM 26 O LIG 1 6.529 -3.094 -0.406 0.00 0.00 -0.276 OA ENDBRANCH 16 24 ENDBRANCH 13 19 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 2 27 ATOM 27 N LIG 1 -2.365 1.594 0.274 0.00 0.00 -0.297 N ATOM 28 H LIG 1 -1.947 2.096 1.053 0.00 0.00 +0.154 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.763 1.804 0.212 0.00 0.00 +0.036 A ATOM 30 C LIG 1 -4.315 2.940 0.825 0.00 0.00 +0.069 A ATOM 31 C LIG 1 -5.684 3.219 0.721 0.00 0.00 +0.133 A ATOM 32 C LIG 1 -6.533 2.386 -0.019 0.00 0.00 +0.100 A ATOM 33 C LIG 1 -5.976 1.276 -0.665 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -4.607 0.999 -0.561 0.00 0.00 +0.024 A BRANCH 31 35 ATOM 35 O LIG 1 -6.192 4.328 1.351 0.00 0.00 -0.506 OA ATOM 36 H LIG 1 -5.464 4.799 1.799 0.00 0.00 +0.292 HD ENDBRANCH 31 35 BRANCH 32 37 ATOM 37 C LIG 1 -8.001 2.607 -0.182 0.00 0.00 +0.340 C ATOM 38 O LIG 1 -8.709 1.859 -0.839 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 -8.495 3.691 0.453 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 -7.799 4.188 0.937 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 27 29 ENDBRANCH 2 27 TORSDOF 9