REMARK Name = BDB003069 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.507 -0.833 -0.211 0.00 0.00 +0.041 A ATOM 2 C LIG 1 1.112 -1.783 0.768 0.00 0.00 +0.341 A ATOM 3 O LIG 1 0.426 -2.584 1.395 0.00 0.00 -0.245 OA ATOM 4 O LIG 1 2.479 -1.720 0.960 0.00 0.00 -0.422 OA ATOM 5 C LIG 1 3.274 -0.793 0.270 0.00 0.00 +0.143 A ATOM 6 C LIG 1 2.716 0.109 -0.634 0.00 0.00 +0.021 A ATOM 7 C LIG 1 3.593 0.992 -1.283 0.00 0.00 +0.015 A ATOM 8 C LIG 1 4.968 0.965 -1.019 0.00 0.00 +0.046 A ATOM 9 C LIG 1 5.482 0.053 -0.107 0.00 0.00 +0.120 A ATOM 10 C LIG 1 4.643 -0.836 0.546 0.00 0.00 +0.092 A ATOM 11 C LIG 1 1.257 0.081 -0.867 0.00 0.00 -0.030 A ATOM 12 C LIG 1 0.691 1.098 -1.826 0.00 0.00 +0.045 C ENDROOT BRANCH 9 13 ATOM 13 O LIG 1 6.826 0.064 0.116 0.00 0.00 -0.507 OA ATOM 14 H LIG 1 7.042 -0.624 0.768 0.00 0.00 +0.292 HD ENDBRANCH 9 13 BRANCH 1 15 ATOM 15 C LIG 1 -0.985 -1.022 -0.396 0.00 0.00 +0.054 C BRANCH 15 16 ATOM 16 C LIG 1 -1.792 -0.274 0.663 0.00 0.00 +0.125 C BRANCH 16 17 ATOM 17 C LIG 1 -3.275 -0.451 0.444 0.00 0.00 +0.307 C ATOM 18 O LIG 1 -3.787 -0.920 -0.562 0.00 0.00 -0.251 OA BRANCH 17 19 ATOM 19 O LIG 1 -3.953 0.028 1.525 0.00 0.00 -0.465 OA BRANCH 19 21 ATOM 20 C LIG 1 -5.963 1.142 0.764 0.00 0.00 +0.048 C ATOM 21 C LIG 1 -5.383 -0.074 1.461 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 6