REMARK Name = BDB026626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.966 0.467 -0.041 0.00 0.00 +0.033 A ATOM 2 C LIG 1 1.579 -0.835 0.303 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.243 -1.135 0.591 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.734 -0.136 0.536 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -0.345 1.165 0.190 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.992 1.463 -0.097 0.00 0.00 +0.023 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 3.417 2.976 -0.688 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 3.963 1.877 -0.606 0.00 0.00 +0.237 C ATOM 9 N LIG 1 3.334 0.677 -0.317 0.00 0.00 -0.284 N ATOM 10 H LIG 1 3.917 -0.148 -0.233 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 5.448 1.761 -0.912 0.00 0.00 +0.218 C BRANCH 11 12 ATOM 12 N LIG 1 6.157 0.844 -0.042 0.00 0.00 -0.328 N ATOM 13 C LIG 1 6.332 0.991 1.304 0.00 0.00 +0.199 A ATOM 14 N LIG 1 6.981 -0.032 1.811 0.00 0.00 -0.244 NA ATOM 15 C LIG 1 7.262 -0.852 0.749 0.00 0.00 +0.130 A ATOM 16 C LIG 1 6.757 -0.327 -0.417 0.00 0.00 +0.107 A ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 17 ATOM 17 C LIG 1 -2.182 -0.444 0.857 0.00 0.00 +0.140 C BRANCH 17 18 ATOM 18 N LIG 1 -3.050 -0.165 -0.285 0.00 0.00 -0.325 N ATOM 19 C LIG 1 -4.439 -0.334 -0.093 0.00 0.00 +0.033 A ATOM 20 C LIG 1 -5.092 -0.747 -1.260 0.00 0.00 -0.025 A ATOM 21 C LIG 1 -6.463 -0.943 -1.311 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -7.201 -0.725 -0.149 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -6.563 -0.304 1.026 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -4.098 -0.876 -2.362 0.00 0.00 +0.056 C ATOM 25 C LIG 1 -5.178 -0.100 1.056 0.00 0.00 +0.023 A ATOM 26 C LIG 1 -2.793 -0.886 -1.551 0.00 0.00 +0.110 C ENDBRANCH 17 18 ENDBRANCH 4 17 TORSDOF 5