REMARK Name = BDB058926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.552 -1.390 -0.384 0.00 0.00 -0.295 N ATOM 2 H LIG 1 -0.649 -0.662 -1.074 0.00 0.00 +0.151 HD ATOM 3 C LIG 1 0.635 -1.417 0.323 0.00 0.00 +0.307 C ATOM 4 N LIG 1 1.655 -0.872 -0.408 0.00 0.00 -0.222 N ATOM 5 H LIG 1 1.538 -0.677 -1.386 0.00 0.00 +0.161 HD ATOM 6 O LIG 1 0.721 -1.893 1.446 0.00 0.00 -0.252 OA ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.915 -0.751 0.096 0.00 0.00 +0.316 A ATOM 8 O LIG 1 3.850 -0.298 -0.790 0.00 0.00 -0.402 OA ATOM 9 C LIG 1 4.990 -0.269 -0.021 0.00 0.00 +0.285 A ATOM 10 N LIG 1 4.757 -0.664 1.217 0.00 0.00 -0.103 NA ATOM 11 N LIG 1 3.413 -0.973 1.289 0.00 0.00 -0.092 NA BRANCH 9 12 ATOM 12 C LIG 1 6.268 0.143 -0.513 0.00 0.00 +0.191 A ATOM 13 O LIG 1 6.474 0.555 -1.808 0.00 0.00 -0.458 OA ATOM 14 C LIG 1 7.787 0.871 -1.938 0.00 0.00 +0.196 A ATOM 15 C LIG 1 8.449 0.675 -0.751 0.00 0.00 +0.042 A ATOM 16 C LIG 1 7.476 0.208 0.165 0.00 0.00 +0.055 A ENDBRANCH 9 12 ENDBRANCH 4 7 BRANCH 1 17 ATOM 17 C LIG 1 -1.783 -1.848 0.227 0.00 0.00 +0.141 C BRANCH 17 20 ATOM 18 C LIG 1 -4.256 1.025 0.683 0.00 0.00 +0.122 A ATOM 19 C LIG 1 -3.565 -0.050 0.118 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -2.546 -0.698 0.837 0.00 0.00 -0.027 A ATOM 21 C LIG 1 -2.224 -0.245 2.124 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -2.920 0.818 2.693 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -3.938 1.445 1.976 0.00 0.00 +0.045 A BRANCH 18 24 ATOM 24 O LIG 1 -5.288 1.709 0.097 0.00 0.00 -0.481 OA BRANCH 24 25 ATOM 25 C LIG 1 -5.386 1.654 -1.325 0.00 0.00 +0.349 C BRANCH 25 27 ATOM 26 O LIG 1 -6.307 0.112 -2.953 0.00 0.00 -0.247 OA ATOM 27 C LIG 1 -6.266 0.508 -1.798 0.00 0.00 +0.343 C BRANCH 27 28 ATOM 28 O LIG 1 -7.022 -0.030 -0.811 0.00 0.00 -0.478 OA ATOM 29 H LIG 1 -6.827 0.403 0.049 0.00 0.00 +0.295 HD ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 18 24 ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 8