REMARK Name = BDB058488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.295 0.538 0.956 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.060 -0.825 0.821 0.00 0.00 +0.027 A ATOM 3 S LIG 1 1.453 -1.743 1.239 0.00 0.00 -0.090 S ATOM 4 C LIG 1 2.370 -0.349 1.601 0.00 0.00 +0.016 A ATOM 5 C LIG 1 1.627 0.798 1.417 0.00 0.00 +0.022 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -2.656 3.561 0.140 0.00 0.00 -0.042 A ATOM 7 C LIG 1 -2.023 3.471 1.391 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.062 2.486 1.652 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -0.709 1.558 0.669 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -1.319 1.639 -0.584 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -2.280 2.623 -0.841 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 12 C LIG 1 -4.024 5.578 0.999 0.00 0.00 +0.015 C ATOM 13 C LIG 1 -3.720 4.625 -0.179 0.00 0.00 -0.013 C ATOM 14 C LIG 1 -5.048 3.934 -0.559 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -3.244 5.497 -1.361 0.00 0.00 +0.015 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 -1.158 -1.548 0.430 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -2.342 -1.384 1.155 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -3.514 -2.053 0.780 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -3.542 -2.910 -0.332 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -2.342 -3.066 -1.052 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -1.170 -2.397 -0.679 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 -4.811 -3.658 -0.774 0.00 0.00 -0.013 C ATOM 23 C LIG 1 -5.188 -3.236 -2.211 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -6.041 -3.384 0.120 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -4.554 -5.180 -0.742 0.00 0.00 +0.015 C ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 26 ATOM 26 C LIG 1 3.785 -0.480 2.069 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 O LIG 1 4.585 0.481 1.374 0.00 0.00 -0.374 OA BRANCH 27 28 ATOM 28 C LIG 1 5.036 0.041 0.092 0.00 0.00 +0.164 C BRANCH 28 29 ATOM 29 C LIG 1 6.319 -0.793 0.199 0.00 0.00 +0.017 C ATOM 30 C LIG 1 7.447 -0.009 0.889 0.00 0.00 +0.021 C ATOM 31 C LIG 1 8.755 -0.800 0.880 0.00 0.00 +0.081 C ATOM 32 N LIG 1 9.149 -1.188 -0.476 0.00 0.00 -0.316 NA ATOM 33 H LIG 1 9.297 -0.345 -1.031 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 8.111 -2.002 -1.111 0.00 0.00 +0.081 C ATOM 35 C LIG 1 6.778 -1.261 -1.188 0.00 0.00 +0.021 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 8