REMARK Name = BDB062459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.534 1.647 0.763 0.00 0.00 -0.016 A ATOM 2 C LIG 1 1.786 1.799 0.136 0.00 0.00 +0.036 A ATOM 3 C LIG 1 2.404 3.053 0.036 0.00 0.00 +0.066 A ATOM 4 C LIG 1 1.735 4.178 0.543 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.493 4.044 1.165 0.00 0.00 +0.003 A ATOM 6 C LIG 1 -0.099 2.788 1.278 0.00 0.00 +0.008 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -1.965 -1.175 0.432 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -1.373 0.089 0.328 0.00 0.00 +0.021 A ATOM 9 C LIG 1 -0.097 0.322 0.864 0.00 0.00 -0.017 A ATOM 10 C LIG 1 0.567 -0.749 1.489 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -0.017 -2.017 1.569 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.283 -2.234 1.034 0.00 0.00 +0.013 A BRANCH 7 15 ATOM 13 C LIG 1 -5.690 -0.870 -0.356 0.00 0.00 +0.076 C ATOM 14 N LIG 1 -4.399 -0.727 0.349 0.00 0.00 -0.294 N ATOM 15 C LIG 1 -3.299 -1.427 -0.151 0.00 0.00 +0.247 C ATOM 16 O LIG 1 -3.368 -2.251 -1.060 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -4.342 0.177 1.504 0.00 0.00 +0.108 C ATOM 18 C LIG 1 -5.670 0.273 2.247 0.00 0.00 +0.019 C ATOM 19 C LIG 1 -6.830 0.665 1.333 0.00 0.00 +0.003 C ATOM 20 C LIG 1 -6.549 0.384 -0.142 0.00 0.00 +0.022 C BRANCH 13 21 ATOM 21 C LIG 1 -6.390 -2.189 0.047 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 22 C LIG 1 -7.625 -2.552 -2.159 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -7.728 -2.469 -0.644 0.00 0.00 -0.002 C ENDBRANCH 21 23 ENDBRANCH 13 21 ENDBRANCH 7 15 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 N LIG 1 3.671 3.229 -0.598 0.00 0.00 -0.236 N ATOM 25 C LIG 1 4.642 2.295 -0.958 0.00 0.00 +0.063 A ATOM 26 C LIG 1 5.574 2.962 -1.739 0.00 0.00 +0.100 A ATOM 27 C LIG 1 5.174 4.309 -1.656 0.00 0.00 +0.150 A ATOM 28 N LIG 1 4.069 4.486 -0.940 0.00 0.00 -0.174 NA BRANCH 25 29 ATOM 29 C LIG 1 4.725 0.791 -0.522 0.00 0.00 +0.048 C ATOM 30 C LIG 1 5.971 0.252 0.159 0.00 0.00 +0.047 C ATOM 31 C LIG 1 4.720 0.505 0.959 0.00 0.00 +0.020 C BRANCH 30 32 ATOM 32 C LIG 1 6.417 -1.186 0.000 0.00 0.00 +0.045 A ATOM 33 N LIG 1 6.816 -1.842 1.121 0.00 0.00 -0.260 NA ATOM 34 C LIG 1 7.223 -3.126 1.005 0.00 0.00 +0.111 A ATOM 35 C LIG 1 7.258 -3.818 -0.191 0.00 0.00 +0.020 A ATOM 36 C LIG 1 6.853 -3.151 -1.337 0.00 0.00 +0.003 A ATOM 37 C LIG 1 6.432 -1.827 -1.240 0.00 0.00 +0.023 A ENDBRANCH 30 32 ENDBRANCH 25 29 BRANCH 26 38 ATOM 38 C LIG 1 6.730 2.490 -2.460 0.00 0.00 +0.340 C ATOM 39 O LIG 1 7.598 3.208 -2.934 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 6.803 1.155 -2.639 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 7.639 1.050 -3.138 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 26 38 ENDBRANCH 3 24 TORSDOF 9