REMARK Name = BDB024381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.107 0.066 -0.523 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.236 -1.169 -1.404 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.365 -1.033 -2.795 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.441 -2.162 -3.613 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.388 -3.436 -3.053 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.264 -3.586 -1.673 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.189 -2.461 -0.853 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.356 -0.288 -0.673 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.107 -0.928 -1.414 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.665 0.318 0.034 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.528 1.059 1.012 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.502 0.038 0.034 0.00 0.00 +0.049 A ATOM 13 C LIG 1 3.516 0.729 0.748 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.172 0.656 0.550 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.724 -0.162 -0.406 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.598 -0.909 -1.179 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.977 -0.808 -0.952 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 6.501 2.532 0.455 0.00 0.00 +0.029 C ATOM 19 C LIG 1 6.400 1.188 1.181 0.00 0.00 +0.088 C ATOM 20 N LIG 1 5.873 0.139 0.288 0.00 0.00 -0.316 N ATOM 21 C LIG 1 6.823 -0.424 -0.706 0.00 0.00 +0.201 C ATOM 22 C LIG 1 8.329 -0.294 -0.409 0.00 0.00 +0.233 C ATOM 23 O LIG 1 9.146 -0.813 -1.176 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 8.730 0.434 0.703 0.00 0.00 -0.301 N ATOM 25 C LIG 1 10.133 0.436 1.074 0.00 0.00 +0.132 C ATOM 26 C LIG 1 7.761 0.740 1.742 0.00 0.00 +0.129 C ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 27 ATOM 27 N LIG 1 -3.040 0.008 0.632 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -2.668 0.659 1.332 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.399 0.414 0.258 0.00 0.00 +0.089 C BRANCH 29 30 ATOM 30 C LIG 1 -5.394 0.270 1.435 0.00 0.00 +0.030 C ATOM 31 C LIG 1 -5.036 1.162 2.631 0.00 0.00 +0.014 C BRANCH 30 32 ATOM 32 C LIG 1 -6.818 0.533 0.957 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -7.245 1.816 0.580 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -8.553 2.030 0.135 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -9.451 0.963 0.057 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -9.036 -0.319 0.425 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -7.728 -0.532 0.871 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -10.792 1.182 -0.401 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -11.876 1.360 -0.775 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9