REMARK Name = BDB060734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.962 1.409 -1.118 0.00 0.00 +0.058 C ATOM 2 C LIG 1 4.688 1.460 -0.706 0.00 0.00 +0.176 C ATOM 3 C LIG 1 3.700 2.427 -1.255 0.00 0.00 +0.231 C ATOM 4 O LIG 1 3.847 3.270 -2.112 0.00 0.00 -0.283 OA ATOM 5 C LIG 1 2.491 2.119 -0.503 0.00 0.00 +0.068 A ATOM 6 C LIG 1 2.801 1.084 0.372 0.00 0.00 +0.143 A ATOM 7 C LIG 1 1.851 0.566 1.225 0.00 0.00 +0.092 A ATOM 8 C LIG 1 0.561 1.116 1.192 0.00 0.00 +0.125 A ATOM 9 C LIG 1 0.256 2.159 0.292 0.00 0.00 +0.046 A ATOM 10 C LIG 1 1.231 2.676 -0.570 0.00 0.00 +0.019 A ATOM 11 O LIG 1 4.108 0.666 0.278 0.00 0.00 -0.451 OA ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 9.039 -1.222 0.294 0.00 0.00 +0.008 A ATOM 13 C LIG 1 9.298 0.130 0.060 0.00 0.00 +0.015 A ATOM 14 C LIG 1 8.284 0.978 -0.398 0.00 0.00 +0.009 A ATOM 15 C LIG 1 6.988 0.491 -0.608 0.00 0.00 -0.021 A ATOM 16 C LIG 1 6.733 -0.865 -0.374 0.00 0.00 +0.009 A ATOM 17 C LIG 1 7.748 -1.713 0.083 0.00 0.00 +0.015 A BRANCH 12 19 ATOM 18 C LIG 1 10.355 -3.536 -0.407 0.00 0.00 +0.090 C ATOM 19 S LIG 1 10.354 -2.268 0.889 0.00 0.00 -0.129 S ENDBRANCH 12 19 ENDBRANCH 1 15 BRANCH 8 20 ATOM 20 O LIG 1 -0.317 0.532 2.065 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.574 1.173 2.304 0.00 0.00 +0.264 C BRANCH 21 22 ATOM 22 C LIG 1 -2.643 0.797 1.302 0.00 0.00 -0.010 A ATOM 23 C LIG 1 -2.660 -0.461 0.688 0.00 0.00 +0.014 A ATOM 24 C LIG 1 -3.665 -0.813 -0.228 0.00 0.00 -0.008 A ATOM 25 C LIG 1 -3.586 -2.156 -0.893 0.00 0.00 +0.047 C ATOM 26 C LIG 1 -4.712 0.091 -0.470 0.00 0.00 +0.128 A ATOM 27 C LIG 1 -4.683 1.379 0.087 0.00 0.00 -0.008 A ATOM 28 C LIG 1 -5.724 2.416 -0.222 0.00 0.00 +0.047 C ATOM 29 C LIG 1 -3.663 1.706 0.996 0.00 0.00 +0.014 A BRANCH 26 30 ATOM 30 O LIG 1 -5.723 -0.244 -1.333 0.00 0.00 -0.475 OA BRANCH 30 31 ATOM 31 C LIG 1 -6.832 -0.951 -0.748 0.00 0.00 +0.200 C ATOM 32 C LIG 1 -7.041 -2.213 -1.608 0.00 0.00 +0.067 C ATOM 33 C LIG 1 -8.086 -0.081 -0.956 0.00 0.00 +0.067 C BRANCH 31 34 ATOM 34 C LIG 1 -6.770 -1.398 0.738 0.00 0.00 +0.348 C ATOM 35 O LIG 1 -6.489 -2.513 1.154 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 -7.048 -0.415 1.621 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 -6.894 -0.837 2.493 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 9