REMARK Name = BDB058596 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.359 0.897 0.404 0.00 0.00 +0.089 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.107 0.831 0.468 0.00 0.00 -0.302 NA ATOM 3 C LIG 1 -0.608 -0.455 0.965 0.00 0.00 +0.085 C ATOM 4 C LIG 1 -2.074 -0.725 0.597 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -2.878 0.581 0.558 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -2.260 1.571 -0.451 0.00 0.00 +0.023 C ATOM 7 C LIG 1 -0.783 1.280 -0.744 0.00 0.00 +0.085 C BRANCH 5 8 ATOM 8 C LIG 1 -4.357 0.359 0.301 0.00 0.00 -0.044 A ATOM 9 C LIG 1 -4.814 -0.342 -0.823 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -6.184 -0.530 -1.041 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -7.137 -0.024 -0.145 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -6.674 0.681 0.976 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -5.305 0.872 1.196 0.00 0.00 +0.004 A BRANCH 11 14 ATOM 14 C LIG 1 -8.577 -0.223 -0.375 0.00 0.00 -0.015 A ATOM 15 C LIG 1 -9.395 -0.791 0.608 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -10.746 -0.961 0.344 0.00 0.00 +0.111 A ATOM 17 N LIG 1 -11.335 -0.607 -0.816 0.00 0.00 -0.263 NA ATOM 18 C LIG 1 -10.536 -0.059 -1.754 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -9.176 0.148 -1.585 0.00 0.00 +0.028 A ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 2.037 0.123 -0.743 0.00 0.00 +0.053 C BRANCH 20 24 ATOM 21 N LIG 1 5.697 -0.142 -0.305 0.00 0.00 -0.220 N ATOM 22 N LIG 1 5.639 1.028 -0.994 0.00 0.00 -0.173 NA ATOM 23 C LIG 1 4.344 1.237 -1.218 0.00 0.00 +0.138 A ATOM 24 C LIG 1 3.523 0.225 -0.688 0.00 0.00 -0.008 A ATOM 25 C LIG 1 4.419 -0.647 -0.110 0.00 0.00 +0.120 A BRANCH 21 30 ATOM 26 O LIG 1 11.611 -0.983 0.655 0.00 0.00 -0.267 OA ATOM 27 C LIG 1 10.615 -0.404 0.238 0.00 0.00 +0.259 A ATOM 28 C LIG 1 9.255 -0.939 0.443 0.00 0.00 +0.070 A ATOM 29 C LIG 1 8.171 -0.210 -0.070 0.00 0.00 +0.122 A ATOM 30 C LIG 1 6.904 -0.770 0.157 0.00 0.00 +0.180 A ATOM 31 N LIG 1 6.727 -1.954 0.837 0.00 0.00 -0.234 NA ATOM 32 C LIG 1 7.812 -2.603 1.302 0.00 0.00 +0.114 A ATOM 33 N LIG 1 8.393 1.000 -0.760 0.00 0.00 -0.233 NA ATOM 34 C LIG 1 9.595 1.426 -0.914 0.00 0.00 +0.200 A ATOM 35 C LIG 1 9.094 -2.139 1.133 0.00 0.00 +0.035 A ATOM 36 N LIG 1 10.696 0.778 -0.446 0.00 0.00 -0.313 N ATOM 37 H LIG 1 11.621 1.155 -0.593 0.00 0.00 +0.170 HD ENDBRANCH 21 30 ENDBRANCH 20 24 ENDBRANCH 1 20 TORSDOF 6