REMARK Name = BDB003948 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.464 -0.376 0.241 0.00 0.00 +0.014 A ATOM 2 C LIG 1 -0.208 -1.520 -0.139 0.00 0.00 +0.124 A ATOM 3 N LIG 1 -1.552 -1.625 -0.246 0.00 0.00 -0.222 NA ATOM 4 C LIG 1 -2.285 -0.538 0.040 0.00 0.00 +0.218 A ATOM 5 N LIG 1 -1.733 0.624 0.423 0.00 0.00 -0.222 NA ATOM 6 C LIG 1 -0.385 0.675 0.519 0.00 0.00 +0.124 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.647 -0.609 -0.086 0.00 0.00 -0.299 N ATOM 8 C LIG 1 -4.490 0.425 0.494 0.00 0.00 +0.124 C ATOM 9 C LIG 1 -5.921 -0.097 0.224 0.00 0.00 +0.064 C ATOM 10 C LIG 1 -6.877 0.454 1.276 0.00 0.00 +0.227 C ATOM 11 O LIG 1 -6.571 1.319 2.092 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 -8.116 -0.133 1.321 0.00 0.00 -0.256 N ATOM 13 H LIG 1 -8.502 -0.022 2.254 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 -9.124 0.307 0.511 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -10.238 0.499 1.000 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -8.835 0.666 -0.926 0.00 0.00 +0.096 C ATOM 17 C LIG 1 -7.763 -0.173 -1.602 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -6.354 0.267 -1.210 0.00 0.00 +0.018 C ATOM 19 C LIG 1 -5.710 -1.615 0.418 0.00 0.00 +0.036 C ATOM 20 C LIG 1 -4.308 -1.899 -0.133 0.00 0.00 +0.109 C ENDBRANCH 4 7 BRANCH 1 25 ATOM 21 C LIG 1 6.145 -0.441 0.369 0.00 0.00 +0.404 C ATOM 22 N LIG 1 4.770 -0.302 0.486 0.00 0.00 -0.263 N ATOM 23 C LIG 1 4.056 -1.200 1.382 0.00 0.00 +0.116 C ATOM 24 C LIG 1 2.664 -1.536 0.846 0.00 0.00 +0.054 C ATOM 25 C LIG 1 1.931 -0.304 0.371 0.00 0.00 -0.038 C ATOM 26 C LIG 1 2.622 0.809 0.059 0.00 0.00 -0.004 C ATOM 27 C LIG 1 4.117 0.947 0.128 0.00 0.00 +0.138 C ATOM 28 O LIG 1 6.774 -1.384 0.832 0.00 0.00 -0.226 OA BRANCH 21 29 ATOM 29 O LIG 1 6.706 0.591 -0.314 0.00 0.00 -0.445 OA BRANCH 29 31 ATOM 30 C LIG 1 8.597 -0.537 -1.421 0.00 0.00 +0.055 C ATOM 31 C LIG 1 8.136 0.641 -0.557 0.00 0.00 +0.107 C ATOM 32 C LIG 1 8.922 0.735 0.755 0.00 0.00 +0.055 C ATOM 33 C LIG 1 8.347 1.942 -1.348 0.00 0.00 +0.055 C ENDBRANCH 29 31 ENDBRANCH 21 29 ENDBRANCH 1 25 TORSDOF 4