REMARK Name = BDB009128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.333 -0.143 -0.913 0.00 0.00 +0.062 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.722 -0.745 -1.042 0.00 0.00 +0.065 A ATOM 3 C LIG 1 -2.884 -0.082 -0.374 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.720 1.228 0.345 0.00 0.00 +0.037 C ATOM 5 C LIG 1 -4.049 1.882 0.740 0.00 0.00 +0.005 C ATOM 6 C LIG 1 -5.039 0.854 1.271 0.00 0.00 +0.005 C ATOM 7 C LIG 1 -5.316 -0.228 0.226 0.00 0.00 +0.041 C ATOM 8 C LIG 1 -4.064 -0.722 -0.446 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -4.180 -1.988 -1.213 0.00 0.00 +0.268 A ATOM 10 O LIG 1 -5.247 -2.586 -1.316 0.00 0.00 -0.266 OA ATOM 11 N LIG 1 -3.029 -2.439 -1.800 0.00 0.00 -0.243 N ATOM 12 H LIG 1 -3.084 -3.305 -2.325 0.00 0.00 +0.192 HD ATOM 13 N LIG 1 -1.805 -1.855 -1.711 0.00 0.00 -0.176 NA ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 C LIG 1 0.383 -0.748 0.293 0.00 0.00 +0.041 C BRANCH 14 17 ATOM 15 C LIG 1 4.108 0.039 -0.011 0.00 0.00 +0.059 A ATOM 16 C LIG 1 2.853 -0.559 -0.198 0.00 0.00 +0.018 A ATOM 17 C LIG 1 1.731 -0.111 0.515 0.00 0.00 -0.046 A ATOM 18 C LIG 1 1.877 0.953 1.415 0.00 0.00 +0.004 A ATOM 19 C LIG 1 3.123 1.552 1.606 0.00 0.00 +0.001 A ATOM 20 C LIG 1 4.237 1.098 0.897 0.00 0.00 +0.015 A BRANCH 15 21 ATOM 21 C LIG 1 5.260 -0.483 -0.797 0.00 0.00 +0.339 C ATOM 22 O LIG 1 5.169 -1.397 -1.601 0.00 0.00 -0.245 OA BRANCH 21 24 ATOM 23 C LIG 1 7.547 -0.255 -1.208 0.00 0.00 +0.280 C ATOM 24 O LIG 1 6.396 0.193 -0.491 0.00 0.00 -0.464 OA ENDBRANCH 21 24 ENDBRANCH 15 21 ENDBRANCH 14 17 ENDBRANCH 1 14 TORSDOF 5