REMARK Name = BDB053290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.323 -0.012 -2.030 0.00 0.00 -0.307 N ATOM 2 H LIG 1 0.124 0.884 -1.901 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 0.208 -1.121 -1.409 0.00 0.00 +0.244 C ATOM 4 O LIG 1 -0.404 -2.171 -1.246 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.599 -0.982 -0.893 0.00 0.00 +0.037 A ATOM 6 C LIG 1 1.990 -1.771 0.192 0.00 0.00 +0.016 A ATOM 7 C LIG 1 3.286 -1.666 0.703 0.00 0.00 +0.046 A ATOM 8 C LIG 1 4.208 -0.784 0.134 0.00 0.00 +0.121 A ATOM 9 C LIG 1 3.824 -0.008 -0.961 0.00 0.00 +0.046 A ATOM 10 C LIG 1 2.524 -0.107 -1.476 0.00 0.00 +0.016 A BRANCH 8 11 ATOM 11 O LIG 1 5.436 -0.782 0.733 0.00 0.00 -0.487 OA BRANCH 11 12 ATOM 12 C LIG 1 6.430 0.082 0.183 0.00 0.00 +0.264 C BRANCH 12 13 ATOM 13 C LIG 1 7.691 -0.038 1.005 0.00 0.00 -0.010 A ATOM 14 C LIG 1 7.665 0.215 2.385 0.00 0.00 +0.007 A ATOM 15 C LIG 1 8.832 0.126 3.146 0.00 0.00 +0.000 A ATOM 16 C LIG 1 10.038 -0.213 2.536 0.00 0.00 +0.000 A ATOM 17 C LIG 1 10.078 -0.465 1.165 0.00 0.00 +0.000 A ATOM 18 C LIG 1 8.911 -0.377 0.403 0.00 0.00 +0.007 A ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 3 5 BRANCH 1 19 ATOM 19 C LIG 1 -1.716 0.039 -2.416 0.00 0.00 +0.143 C BRANCH 19 22 ATOM 20 C LIG 1 -3.944 0.395 0.657 0.00 0.00 -0.046 A ATOM 21 C LIG 1 -3.173 -0.148 -0.377 0.00 0.00 +0.012 A ATOM 22 C LIG 1 -2.552 0.677 -1.333 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -2.687 2.074 -1.232 0.00 0.00 +0.125 A ATOM 24 C LIG 1 -3.456 2.615 -0.199 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -4.081 1.783 0.735 0.00 0.00 +0.007 A BRANCH 23 26 ATOM 26 O LIG 1 -2.017 2.810 -2.175 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 -2.215 4.219 -2.162 0.00 0.00 +0.277 C ENDBRANCH 23 26 BRANCH 20 28 ATOM 28 C LIG 1 -4.611 -0.506 1.669 0.00 0.00 +0.049 C BRANCH 28 29 ATOM 29 C LIG 1 -5.824 -1.270 1.111 0.00 0.00 +0.102 C BRANCH 29 31 ATOM 30 C LIG 1 -8.188 -1.086 0.175 0.00 0.00 +0.004 C ATOM 31 C LIG 1 -7.029 -0.353 0.839 0.00 0.00 +0.011 C ENDBRANCH 29 31 BRANCH 29 32 ATOM 32 C LIG 1 -6.191 -2.365 2.086 0.00 0.00 +0.308 C ATOM 33 O LIG 1 -6.224 -3.560 1.840 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -6.513 -1.916 3.313 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 -6.731 -2.733 3.811 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 20 28 ENDBRANCH 19 22 ENDBRANCH 1 19 TORSDOF 12