REMARK Name = BDB026901 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.656 -1.871 0.382 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.443 -3.165 0.214 0.00 0.00 -0.023 A ATOM 3 C LIG 1 2.458 -3.538 1.111 0.00 0.00 +0.005 A ATOM 4 C LIG 1 3.159 -4.733 0.935 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.847 -5.577 -0.129 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.828 -5.232 -1.014 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.126 -4.038 -0.841 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 1.570 -0.681 0.791 0.00 0.00 +0.186 C ATOM 9 O LIG 1 1.638 -0.323 1.972 0.00 0.00 -0.290 OA BRANCH 8 15 ATOM 10 C LIG 1 5.678 4.651 -0.660 0.00 0.00 +0.044 C ATOM 11 C LIG 1 4.816 3.436 -0.468 0.00 0.00 -0.048 A ATOM 12 C LIG 1 4.533 2.599 -1.558 0.00 0.00 +0.029 A ATOM 13 C LIG 1 3.700 1.492 -1.342 0.00 0.00 +0.047 A ATOM 14 C LIG 1 3.136 1.196 -0.101 0.00 0.00 +0.010 A ATOM 15 C LIG 1 2.346 0.005 -0.253 0.00 0.00 +0.044 A ATOM 16 C LIG 1 2.463 -0.373 -1.580 0.00 0.00 +0.095 A ATOM 17 C LIG 1 3.421 2.059 0.978 0.00 0.00 +0.011 A ATOM 18 N LIG 1 3.281 0.522 -2.219 0.00 0.00 -0.360 N ATOM 19 H LIG 1 3.548 0.478 -3.193 0.00 0.00 +0.165 HD ATOM 20 C LIG 1 4.251 3.170 0.782 0.00 0.00 +0.004 A ENDBRANCH 8 15 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -0.420 -2.088 1.389 0.00 0.00 -0.303 NA ATOM 22 H LIG 1 0.041 -2.051 2.303 0.00 0.00 +0.123 HD BRANCH 21 23 ATOM 23 C LIG 1 -1.458 -1.050 1.363 0.00 0.00 +0.086 C BRANCH 23 24 ATOM 24 C LIG 1 -2.465 -1.250 0.221 0.00 0.00 +0.050 C BRANCH 24 25 ATOM 25 C LIG 1 -3.567 -0.216 0.262 0.00 0.00 -0.046 A ATOM 26 C LIG 1 -3.397 1.026 -0.369 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -4.403 1.992 -0.314 0.00 0.00 +0.029 A ATOM 28 C LIG 1 -5.586 1.712 0.373 0.00 0.00 +0.105 A ATOM 29 C LIG 1 -5.763 0.488 1.023 0.00 0.00 +0.029 A ATOM 30 C LIG 1 -4.753 -0.474 0.964 0.00 0.00 +0.005 A BRANCH 28 31 ATOM 31 S LIG 1 -6.873 2.927 0.452 0.00 0.00 +0.056 S ATOM 32 O LIG 1 -7.577 2.769 1.702 0.00 0.00 -0.153 OA ATOM 33 O LIG 1 -6.338 4.196 0.014 0.00 0.00 -0.153 OA BRANCH 31 34 ATOM 34 N LIG 1 -7.892 2.417 -0.789 0.00 0.00 -0.204 NA ATOM 35 H LIG 1 -7.910 3.136 -1.514 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -7.639 1.503 -1.164 0.00 0.00 +0.144 HD ENDBRANCH 31 34 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 9