REMARK Name = BDB018344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.023 1.034 -0.080 0.00 0.00 +0.010 A ATOM 2 C LIG 1 1.407 0.559 0.040 0.00 0.00 -0.004 A ATOM 3 C LIG 1 2.428 1.415 -0.149 0.00 0.00 +0.079 A ATOM 4 C LIG 1 2.189 2.844 -0.470 0.00 0.00 +0.252 A ATOM 5 O LIG 1 3.152 3.590 -0.627 0.00 0.00 -0.268 OA ATOM 6 N LIG 1 0.858 3.227 -0.568 0.00 0.00 -0.318 N ATOM 7 C LIG 1 0.534 4.610 -0.877 0.00 0.00 +0.152 C ATOM 8 C LIG 1 -0.181 2.333 -0.375 0.00 0.00 +0.098 A ENDROOT BRANCH 1 11 ATOM 9 C LIG 1 -1.132 -0.138 2.715 0.00 0.00 +0.068 C ATOM 10 C LIG 1 -1.609 -0.359 1.328 0.00 0.00 +0.068 A ATOM 11 C LIG 1 -1.091 0.156 0.112 0.00 0.00 +0.027 A ATOM 12 C LIG 1 -1.900 -0.362 -0.883 0.00 0.00 +0.044 A ATOM 13 C LIG 1 -1.873 -0.212 -2.360 0.00 0.00 +0.066 C ATOM 14 N LIG 1 -2.828 -1.130 -0.225 0.00 0.00 -0.271 N ATOM 15 C LIG 1 -3.898 -1.902 -0.812 0.00 0.00 +0.172 C ATOM 16 N LIG 1 -2.676 -1.137 1.111 0.00 0.00 -0.176 NA ENDBRANCH 1 11 BRANCH 2 17 ATOM 17 C LIG 1 1.782 -0.839 0.342 0.00 0.00 -0.017 A ATOM 18 C LIG 1 1.626 -1.837 -0.629 0.00 0.00 +0.008 A ATOM 19 C LIG 1 1.976 -3.158 -0.344 0.00 0.00 +0.001 A ATOM 20 C LIG 1 2.485 -3.491 0.910 0.00 0.00 +0.000 A ATOM 21 C LIG 1 2.645 -2.504 1.882 0.00 0.00 +0.001 A ATOM 22 C LIG 1 2.296 -1.183 1.600 0.00 0.00 +0.008 A ENDBRANCH 2 17 TORSDOF 2