REMARK Name = BDB024209 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.589 -0.583 0.483 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.638 -2.026 0.965 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.340 -3.100 0.110 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.395 -4.415 0.574 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.758 -4.677 1.893 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.076 -3.624 2.748 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.022 -2.307 2.287 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.299 -0.304 -0.345 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.179 -0.171 0.447 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.255 -0.340 1.442 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.322 -0.218 -1.573 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.132 0.097 0.061 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.996 0.118 1.097 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.301 0.371 0.818 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.805 0.611 -0.456 0.00 0.00 +0.003 A ATOM 16 C LIG 1 2.884 0.589 -1.502 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.534 0.329 -1.245 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.210 0.881 -0.697 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.255 0.460 0.101 0.00 0.00 +0.117 A ATOM 20 N LIG 1 7.412 0.910 -0.483 0.00 0.00 -0.266 N ATOM 21 N LIG 1 7.175 1.599 -1.621 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 5.847 1.576 -1.746 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 8.804 0.724 -0.034 0.00 0.00 +0.055 C ATOM 24 C LIG 1 9.587 -0.060 -1.105 0.00 0.00 +0.036 C ATOM 25 C LIG 1 8.899 -0.059 1.293 0.00 0.00 +0.036 C ATOM 26 C LIG 1 9.463 2.101 0.181 0.00 0.00 +0.036 C ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 -3.803 -0.278 -0.304 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.679 -0.696 -1.229 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.030 1.164 -0.452 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 -5.386 2.967 -1.596 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -5.277 1.462 -1.322 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 -6.570 0.931 -0.717 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -7.301 -0.056 -1.397 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -8.487 -0.564 -0.859 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -8.960 -0.091 0.367 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -8.241 0.891 1.053 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -7.055 1.398 0.514 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -10.175 -0.613 0.921 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -11.160 -1.030 1.370 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10