REMARK Name = BDB016733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.584 -2.114 -1.438 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.462 -1.578 -2.734 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.235 -1.024 -3.121 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.119 -0.992 -2.296 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.098 -0.354 -3.072 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.570 0.009 -4.278 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.232 -1.533 -1.002 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.839 -0.424 -4.282 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.393 -0.270 -5.116 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.456 -2.091 -0.601 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.545 1.238 1.678 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.754 0.286 0.669 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.316 -0.940 0.992 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.677 -2.157 0.187 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.879 -2.732 -0.965 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.302 -3.092 1.198 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.251 -2.455 2.426 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.612 -2.872 3.270 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.757 -4.196 0.952 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -6.208 -2.047 -1.213 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.678 -1.186 2.324 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -5.491 -0.275 3.341 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -4.913 0.953 3.007 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.691 3.392 2.223 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.982 2.406 1.241 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.288 -0.072 -2.696 0.00 0.00 +0.003 A ATOM 27 C LIG 1 2.050 -1.010 -1.990 0.00 0.00 +0.010 A ATOM 28 C LIG 1 3.371 -0.724 -1.631 0.00 0.00 +0.005 A ATOM 29 C LIG 1 3.956 0.503 -1.974 0.00 0.00 -0.033 A ATOM 30 C LIG 1 3.199 1.435 -2.694 0.00 0.00 +0.005 A ATOM 31 C LIG 1 1.878 1.148 -3.053 0.00 0.00 +0.010 A BRANCH 29 32 ATOM 32 C LIG 1 5.390 0.804 -1.588 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.617 0.768 -0.137 0.00 0.00 -0.296 NA ATOM 34 C LIG 1 4.875 1.833 0.572 0.00 0.00 +0.100 C ATOM 35 C LIG 1 5.480 2.237 1.944 0.00 0.00 +0.099 C ATOM 36 N LIG 1 6.272 1.197 2.623 0.00 0.00 -0.303 NA ATOM 37 C LIG 1 5.410 0.102 3.073 0.00 0.00 +0.105 C ATOM 38 C LIG 1 7.323 0.698 1.709 0.00 0.00 +0.099 C ATOM 39 C LIG 1 7.046 0.847 0.188 0.00 0.00 +0.100 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 5