REMARK Name = BDB061646 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.062 1.360 1.964 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -1.823 0.324 0.901 0.00 0.00 -0.008 A ATOM 3 C LIG 1 -2.528 0.291 -0.315 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -2.096 -0.554 -1.351 0.00 0.00 -0.008 A ATOM 5 C LIG 1 -2.635 -0.478 -2.753 0.00 0.00 +0.047 C ATOM 6 C LIG 1 -1.097 -1.505 -1.087 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -0.478 -1.578 0.165 0.00 0.00 -0.025 A ATOM 8 C LIG 1 -0.828 -0.638 1.141 0.00 0.00 +0.012 A ENDROOT BRANCH 3 9 ATOM 9 O LIG 1 -3.524 1.203 -0.549 0.00 0.00 -0.475 OA BRANCH 9 10 ATOM 10 C LIG 1 -4.887 0.802 -0.229 0.00 0.00 +0.200 C ATOM 11 C LIG 1 -5.124 0.561 1.265 0.00 0.00 +0.067 C ATOM 12 C LIG 1 -5.398 -0.382 -1.056 0.00 0.00 +0.067 C BRANCH 10 13 ATOM 13 C LIG 1 -5.741 2.025 -0.625 0.00 0.00 +0.348 C ATOM 14 O LIG 1 -6.958 2.091 -0.517 0.00 0.00 -0.247 OA BRANCH 13 15 ATOM 15 O LIG 1 -5.009 3.057 -1.120 0.00 0.00 -0.478 OA ATOM 16 H LIG 1 -4.059 2.802 -1.123 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 3 9 BRANCH 7 17 ATOM 17 C LIG 1 0.610 -2.591 0.426 0.00 0.00 +0.184 C BRANCH 17 18 ATOM 18 N LIG 1 1.908 -2.107 0.021 0.00 0.00 -0.208 N ATOM 19 C LIG 1 2.776 -1.343 0.812 0.00 0.00 +0.351 A ATOM 20 O LIG 1 2.591 -1.061 1.987 0.00 0.00 -0.244 OA ATOM 21 N LIG 1 3.826 -1.004 -0.027 0.00 0.00 -0.250 N ATOM 22 C LIG 1 3.497 -1.550 -1.220 0.00 0.00 +0.230 A ATOM 23 N LIG 1 2.380 -2.206 -1.262 0.00 0.00 -0.157 NA BRANCH 21 24 ATOM 24 C LIG 1 4.978 -0.238 0.284 0.00 0.00 +0.052 A ATOM 25 C LIG 1 5.192 0.276 1.573 0.00 0.00 +0.027 A ATOM 26 C LIG 1 6.332 1.033 1.880 0.00 0.00 +0.021 A ATOM 27 C LIG 1 7.288 1.294 0.901 0.00 0.00 +0.052 A ATOM 28 C LIG 1 7.096 0.792 -0.386 0.00 0.00 +0.021 A ATOM 29 C LIG 1 5.955 0.035 -0.689 0.00 0.00 +0.027 A BRANCH 27 30 ATOM 30 C LIG 1 8.455 2.067 1.212 0.00 0.00 +0.099 C ATOM 31 N LIG 1 9.401 2.691 1.458 0.00 0.00 -0.191 NA ENDBRANCH 27 30 ENDBRANCH 21 24 ENDBRANCH 17 18 ENDBRANCH 7 17 TORSDOF 8