REMARK Name = BDB032983 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.808 -0.764 0.899 0.00 0.00 +0.250 C ATOM 2 N LIG 1 1.658 -0.100 0.046 0.00 0.00 -0.261 N ATOM 3 H LIG 1 1.288 0.499 -0.677 0.00 0.00 +0.157 HD ATOM 4 O LIG 1 1.091 -1.593 1.751 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -3.352 0.017 0.107 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -2.494 1.070 0.469 0.00 0.00 +0.027 A ATOM 7 C LIG 1 -1.133 0.865 0.764 0.00 0.00 -0.037 A ATOM 8 C LIG 1 -0.290 2.041 1.168 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -0.624 -0.441 0.674 0.00 0.00 +0.040 A ATOM 10 C LIG 1 -1.475 -1.509 0.378 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -2.828 -1.279 0.110 0.00 0.00 +0.023 A BRANCH 5 13 ATOM 12 C LIG 1 -5.564 -0.669 -0.744 0.00 0.00 +0.125 C ATOM 13 N LIG 1 -4.705 0.304 -0.094 0.00 0.00 -0.347 N ATOM 14 H LIG 1 -4.854 1.252 -0.430 0.00 0.00 +0.146 HD ENDBRANCH 5 13 ENDBRANCH 1 9 BRANCH 2 15 ATOM 15 C LIG 1 3.014 -0.257 0.094 0.00 0.00 +0.167 A ATOM 16 S LIG 1 3.855 0.637 -1.098 0.00 0.00 -0.028 S ATOM 17 C LIG 1 5.314 0.015 -0.483 0.00 0.00 +0.185 A ATOM 18 C LIG 1 5.080 -0.823 0.581 0.00 0.00 +0.153 A ATOM 19 N LIG 1 3.745 -0.972 0.910 0.00 0.00 -0.231 NA BRANCH 17 20 ATOM 20 N LIG 1 6.579 0.361 -1.045 0.00 0.00 +0.065 N ATOM 21 O LIG 1 7.574 -0.153 -0.519 0.00 0.00 -0.126 OA ATOM 22 O LIG 1 6.596 1.140 -2.006 0.00 0.00 -0.126 OA ENDBRANCH 17 20 ENDBRANCH 2 15 TORSDOF 4