REMARK Name = BDB015274 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.744 -0.880 -0.124 0.00 0.00 +0.154 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.867 -0.213 1.143 0.00 0.00 -0.388 OA ATOM 3 H LIG 1 0.057 -0.058 1.433 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 0.479 -1.821 -0.049 0.00 0.00 +0.118 C BRANCH 4 5 ATOM 5 N LIG 1 1.686 -1.119 0.450 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 2.208 -0.165 -0.555 0.00 0.00 +0.120 C ATOM 7 C LIG 1 3.548 0.439 -0.188 0.00 0.00 -0.030 A ATOM 8 C LIG 1 4.388 -0.180 0.753 0.00 0.00 -0.042 A ATOM 9 C LIG 1 5.635 0.385 1.053 0.00 0.00 +0.004 A ATOM 10 C LIG 1 6.058 1.543 0.403 0.00 0.00 +0.000 A ATOM 11 C LIG 1 5.237 2.149 -0.545 0.00 0.00 +0.000 A ATOM 12 C LIG 1 3.919 -1.411 1.482 0.00 0.00 +0.051 C ATOM 13 C LIG 1 3.990 1.599 -0.842 0.00 0.00 +0.005 A ATOM 14 C LIG 1 2.741 -2.097 0.778 0.00 0.00 +0.089 C ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 1 15 ATOM 15 C LIG 1 -2.025 -1.670 -0.432 0.00 0.00 +0.192 C BRANCH 15 16 ATOM 16 O LIG 1 -3.068 -0.852 -0.978 0.00 0.00 -0.374 OA BRANCH 16 17 ATOM 17 C LIG 1 -3.706 0.013 -0.029 0.00 0.00 +0.123 C ATOM 18 C LIG 1 -5.221 -0.192 -0.150 0.00 0.00 +0.059 C ATOM 19 C LIG 1 -5.822 0.835 -1.097 0.00 0.00 +0.162 C ATOM 20 O LIG 1 -5.642 2.174 -0.630 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -4.417 2.411 0.066 0.00 0.00 +0.162 C ATOM 22 C LIG 1 -3.308 1.458 -0.342 0.00 0.00 +0.059 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 6