REMARK Name = BDB064198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.712 0.760 0.133 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.860 -0.264 0.294 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 -0.447 0.011 0.310 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -0.946 1.305 0.158 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.345 1.508 0.215 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -3.222 0.434 0.397 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -2.744 -0.870 0.529 0.00 0.00 +0.032 A ATOM 8 C LIG 1 0.021 2.310 -0.032 0.00 0.00 +0.136 A ATOM 9 C LIG 1 -1.346 -1.037 0.487 0.00 0.00 +0.051 A ATOM 10 N LIG 1 1.336 2.034 -0.043 0.00 0.00 -0.212 NA ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -3.570 -1.983 0.709 0.00 0.00 -0.327 N ATOM 12 C LIG 1 -4.968 -1.833 1.156 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -5.956 -2.088 -0.003 0.00 0.00 +0.103 C ATOM 14 N LIG 1 -5.835 -3.418 -0.644 0.00 0.00 -0.302 NA ATOM 15 C LIG 1 -6.942 -4.299 -0.283 0.00 0.00 +0.105 C ATOM 16 C LIG 1 -4.538 -4.058 -0.322 0.00 0.00 +0.103 C ATOM 17 C LIG 1 -3.352 -3.066 -0.285 0.00 0.00 +0.120 C ENDBRANCH 7 11 BRANCH 1 20 ATOM 18 C LIG 1 5.021 -1.137 0.126 0.00 0.00 +0.034 A ATOM 19 C LIG 1 3.650 -0.857 0.120 0.00 0.00 +0.035 A ATOM 20 C LIG 1 3.160 0.468 0.138 0.00 0.00 +0.021 A ATOM 21 C LIG 1 4.109 1.509 0.165 0.00 0.00 +0.012 A ATOM 22 C LIG 1 5.478 1.244 0.177 0.00 0.00 +0.002 A ATOM 23 C LIG 1 5.929 -0.074 0.160 0.00 0.00 +0.023 A BRANCH 18 25 ATOM 24 C LIG 1 4.884 -3.631 0.002 0.00 0.00 +0.241 C ATOM 25 N LIG 1 5.563 -2.440 0.114 0.00 0.00 -0.282 N ATOM 26 H LIG 1 6.571 -2.494 0.139 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 3.687 -3.801 -0.190 0.00 0.00 -0.271 OA BRANCH 24 29 ATOM 28 C LIG 1 6.866 -4.951 0.806 0.00 0.00 +0.013 C ATOM 29 C LIG 1 5.764 -4.834 0.054 0.00 0.00 +0.060 C ENDBRANCH 24 29 ENDBRANCH 18 25 ENDBRANCH 1 20 BRANCH 8 30 ATOM 30 N LIG 1 -0.407 3.647 -0.245 0.00 0.00 -0.282 N ATOM 31 H LIG 1 -1.102 3.660 -0.980 0.00 0.00 +0.155 HD BRANCH 30 32 ATOM 32 C LIG 1 0.310 4.779 -0.056 0.00 0.00 +0.146 A ATOM 33 N LIG 1 1.312 4.975 0.804 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 1.668 6.252 0.627 0.00 0.00 -0.280 N ATOM 35 H LIG 1 2.438 6.612 1.181 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 0.909 6.913 -0.296 0.00 0.00 +0.035 A ATOM 37 C LIG 1 1.124 8.335 -0.631 0.00 0.00 +0.065 C ATOM 38 C LIG 1 0.008 5.976 -0.753 0.00 0.00 +0.068 A ENDBRANCH 30 32 ENDBRANCH 8 30 TORSDOF 6