REMARK Name = BDB000276 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.450 -0.582 -1.010 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -0.326 0.246 -0.825 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.916 -0.059 -1.401 0.00 0.00 +0.079 A ATOM 4 N LIG 1 2.057 0.781 -1.254 0.00 0.00 -0.265 N ATOM 5 C LIG 1 3.291 0.361 -1.746 0.00 0.00 +0.258 C ATOM 6 C LIG 1 3.322 -1.077 -2.244 0.00 0.00 +0.325 C ATOM 7 O LIG 1 2.150 -1.605 -2.835 0.00 0.00 -0.481 OA ATOM 8 O LIG 1 4.313 1.050 -1.725 0.00 0.00 -0.272 OA ATOM 9 C LIG 1 1.011 -1.218 -2.184 0.00 0.00 +0.143 A ATOM 10 C LIG 1 -0.100 -2.036 -2.398 0.00 0.00 +0.048 A ATOM 11 C LIG 1 -1.323 -1.725 -1.808 0.00 0.00 +0.012 A ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -3.117 -0.688 0.874 0.00 0.00 +0.056 A ATOM 13 C LIG 1 -2.737 -0.241 -0.390 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -3.681 0.564 -1.036 0.00 0.00 +0.129 A ATOM 15 N LIG 1 -4.856 0.900 -0.485 0.00 0.00 -0.199 NA ATOM 16 C LIG 1 -5.110 0.442 0.738 0.00 0.00 +0.214 A ATOM 17 N LIG 1 -4.301 -0.353 1.437 0.00 0.00 -0.219 NA BRANCH 14 18 ATOM 18 N LIG 1 -3.442 1.077 -2.325 0.00 0.00 -0.343 N ATOM 19 H LIG 1 -2.603 1.651 -2.309 0.00 0.00 +0.144 HD ATOM 20 H LIG 1 -3.268 0.310 -2.968 0.00 0.00 +0.144 HD ENDBRANCH 14 18 BRANCH 16 21 ATOM 21 N LIG 1 -6.322 0.776 1.306 0.00 0.00 -0.327 N ATOM 22 H LIG 1 -6.593 0.066 1.970 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -6.979 1.008 0.574 0.00 0.00 +0.145 HD ENDBRANCH 16 21 BRANCH 12 25 ATOM 24 C LIG 1 -1.406 -0.733 2.710 0.00 0.00 +0.010 C ATOM 25 C LIG 1 -2.233 -1.558 1.735 0.00 0.00 +0.053 C ENDBRANCH 12 25 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 C LIG 1 1.995 2.058 -0.551 0.00 0.00 +0.116 C BRANCH 26 27 ATOM 27 C LIG 1 2.099 1.952 0.978 0.00 0.00 +0.047 C BRANCH 27 28 ATOM 28 C LIG 1 3.432 1.397 1.472 0.00 0.00 +0.161 C BRANCH 28 29 ATOM 29 O LIG 1 3.452 -0.021 1.304 0.00 0.00 -0.383 OA ATOM 30 C LIG 1 4.710 -0.570 1.676 0.00 0.00 +0.193 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 8