REMARK Name = BDB005106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.354 -0.078 0.348 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.851 0.316 -0.507 0.00 0.00 -0.025 A ATOM 3 C LIG 1 2.134 -0.128 -0.130 0.00 0.00 +0.028 A ATOM 4 C LIG 1 3.280 0.223 -0.860 0.00 0.00 +0.034 A ATOM 5 C LIG 1 3.139 1.038 -1.981 0.00 0.00 +0.023 A ATOM 6 C LIG 1 1.876 1.486 -2.373 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.742 1.129 -1.644 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 4.516 -0.274 -0.396 0.00 0.00 -0.281 N ATOM 9 H LIG 1 4.469 -0.878 0.414 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 5.760 -0.109 -0.978 0.00 0.00 +0.248 C ATOM 11 O LIG 1 6.012 0.457 -2.035 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 6.887 -0.733 -0.228 0.00 0.00 +0.037 A ATOM 13 C LIG 1 6.933 -0.726 1.173 0.00 0.00 +0.013 A ATOM 14 C LIG 1 8.008 -1.322 1.837 0.00 0.00 +0.001 A ATOM 15 C LIG 1 9.038 -1.916 1.107 0.00 0.00 +0.000 A ATOM 16 C LIG 1 9.004 -1.909 -0.287 0.00 0.00 +0.001 A ATOM 17 C LIG 1 7.933 -1.314 -0.955 0.00 0.00 +0.013 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 N LIG 1 -1.585 -0.059 -0.450 0.00 0.00 -0.322 N ATOM 19 H LIG 1 -1.942 0.905 -0.458 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -2.641 -0.899 -0.040 0.00 0.00 +0.130 A ATOM 21 C LIG 1 -3.868 -0.850 -0.737 0.00 0.00 +0.041 A ATOM 22 C LIG 1 -4.894 -1.697 -0.275 0.00 0.00 +0.088 A ATOM 23 C LIG 1 -6.133 -1.646 -0.948 0.00 0.00 +0.063 A ATOM 24 C LIG 1 -6.337 -0.789 -2.047 0.00 0.00 +0.015 A ATOM 25 C LIG 1 -5.316 0.028 -2.503 0.00 0.00 +0.002 A ATOM 26 N LIG 1 -4.676 -2.520 0.776 0.00 0.00 -0.235 NA ATOM 27 C LIG 1 -3.465 -2.505 1.344 0.00 0.00 +0.223 A ATOM 28 C LIG 1 -4.091 -0.004 -1.853 0.00 0.00 +0.013 A ATOM 29 N LIG 1 -2.439 -1.735 0.990 0.00 0.00 -0.220 NA BRANCH 23 30 ATOM 30 C LIG 1 -7.313 -2.482 -0.558 0.00 0.00 +0.244 C ATOM 31 O LIG 1 -8.387 -2.392 -1.145 0.00 0.00 -0.270 OA ATOM 32 N LIG 1 -7.176 -3.359 0.476 0.00 0.00 -0.325 N ATOM 33 H LIG 1 -6.294 -3.446 0.972 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -7.964 -3.931 0.743 0.00 0.00 +0.145 HD ENDBRANCH 23 30 ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 35 ATOM 35 C LIG 1 -0.480 0.824 1.600 0.00 0.00 +0.042 C BRANCH 35 36 ATOM 36 C LIG 1 -0.722 2.321 1.324 0.00 0.00 +0.086 C BRANCH 36 38 ATOM 37 C LIG 1 -3.143 2.490 1.467 0.00 0.00 +0.104 C ATOM 38 N LIG 1 -1.972 2.604 0.587 0.00 0.00 -0.308 NA ATOM 39 C LIG 1 -1.922 3.961 0.027 0.00 0.00 +0.104 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 9