REMARK Name = BDB057801 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.165 -2.578 2.449 0.00 0.00 +0.002 A ATOM 2 C LIG 1 0.000 -1.884 2.104 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.042 -0.992 1.020 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.155 -0.826 0.302 0.00 0.00 +0.026 A ATOM 5 C LIG 1 -2.337 -1.517 0.630 0.00 0.00 -0.044 A ATOM 6 C LIG 1 -2.332 -2.395 1.715 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.197 -0.298 0.679 0.00 0.00 -0.330 N ATOM 8 C LIG 1 2.295 -0.139 1.636 0.00 0.00 +0.106 C ATOM 9 C LIG 1 3.114 1.103 1.299 0.00 0.00 +0.038 C ATOM 10 C LIG 1 3.700 1.056 -0.126 0.00 0.00 +0.060 C ATOM 11 C LIG 1 2.912 0.102 -1.040 0.00 0.00 +0.038 C ATOM 12 C LIG 1 1.421 0.124 -0.707 0.00 0.00 +0.106 C BRANCH 10 13 ATOM 13 N LIG 1 5.160 0.866 -0.111 0.00 0.00 -0.299 NA ATOM 14 C LIG 1 5.657 -0.390 0.446 0.00 0.00 +0.085 C ATOM 15 C LIG 1 7.132 -0.381 0.063 0.00 0.00 +0.017 C ATOM 16 C LIG 1 7.242 0.593 -1.105 0.00 0.00 +0.017 C ATOM 17 C LIG 1 5.811 1.003 -1.412 0.00 0.00 +0.085 C ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 5 18 ATOM 18 C LIG 1 -3.604 -1.279 -0.157 0.00 0.00 +0.050 C BRANCH 18 19 ATOM 19 C LIG 1 -4.407 -0.097 0.409 0.00 0.00 +0.089 C BRANCH 19 20 ATOM 20 N LIG 1 -5.682 0.107 -0.292 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 -6.495 1.140 0.355 0.00 0.00 +0.084 C ATOM 22 C LIG 1 -7.560 1.433 -0.689 0.00 0.00 +0.017 C ATOM 23 C LIG 1 -6.897 1.122 -2.025 0.00 0.00 +0.017 C ATOM 24 C LIG 1 -5.523 0.568 -1.673 0.00 0.00 +0.084 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 5 18 TORSDOF 5