REMARK Name = BDB002942 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.518 -0.672 0.627 0.00 0.00 +0.091 C ATOM 2 C LIG 1 -0.549 -0.229 1.573 0.00 0.00 +0.111 C ATOM 3 C LIG 1 -1.744 -0.605 0.729 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -2.995 -0.983 1.523 0.00 0.00 +0.160 C ATOM 5 N LIG 1 -4.114 -0.454 0.751 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -5.395 -0.547 1.241 0.00 0.00 +0.243 C ATOM 7 O LIG 1 -5.657 -1.110 2.301 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.656 0.044 -0.551 0.00 0.00 +0.166 C ATOM 9 C LIG 1 -2.232 0.494 -0.227 0.00 0.00 +0.084 C ATOM 10 O LIG 1 -1.271 -1.711 -0.055 0.00 0.00 -0.385 OA ATOM 11 N LIG 1 0.108 -1.495 -0.289 0.00 0.00 -0.088 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 4.174 -0.132 -0.185 0.00 0.00 +0.034 A ATOM 13 C LIG 1 2.843 -0.569 -0.245 0.00 0.00 +0.033 A ATOM 14 C LIG 1 1.919 -0.211 0.749 0.00 0.00 +0.001 A ATOM 15 C LIG 1 2.334 0.571 1.828 0.00 0.00 +0.010 A ATOM 16 C LIG 1 3.661 0.991 1.906 0.00 0.00 +0.002 A ATOM 17 C LIG 1 4.575 0.639 0.907 0.00 0.00 +0.023 A BRANCH 12 19 ATOM 18 C LIG 1 6.296 -0.212 -1.591 0.00 0.00 +0.243 C ATOM 19 N LIG 1 5.028 -0.558 -1.219 0.00 0.00 -0.282 N ATOM 20 H LIG 1 4.690 -1.329 -1.787 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 6.918 -0.929 -2.374 0.00 0.00 -0.270 OA BRANCH 18 23 ATOM 22 C LIG 1 6.340 2.223 -1.436 0.00 0.00 +0.017 C ATOM 23 C LIG 1 6.918 1.051 -1.118 0.00 0.00 +0.004 C ATOM 24 C LIG 1 8.224 0.915 -0.404 0.00 0.00 +0.048 C ENDBRANCH 18 23 ENDBRANCH 12 19 ENDBRANCH 1 14 BRANCH 8 25 ATOM 25 C LIG 1 -3.800 -1.072 -1.621 0.00 0.00 +0.231 C ATOM 26 O LIG 1 -4.811 -1.761 -1.742 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 -2.767 -1.247 -2.511 0.00 0.00 -0.328 N ATOM 28 H LIG 1 -1.826 -1.256 -2.127 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 -2.921 -2.043 -3.120 0.00 0.00 +0.145 HD ENDBRANCH 8 25 BRANCH 6 30 ATOM 30 C LIG 1 -6.492 0.094 0.466 0.00 0.00 +0.004 C ATOM 31 C LIG 1 -7.587 -0.813 0.005 0.00 0.00 +0.048 C ATOM 32 C LIG 1 -6.497 1.427 0.307 0.00 0.00 +0.017 C ENDBRANCH 6 30 TORSDOF 5