REMARK Name = BDB010481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.899 -1.703 0.857 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.530 -1.496 1.030 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.333 -2.583 1.051 0.00 0.00 +0.186 A ATOM 4 N LIG 1 -1.617 -2.208 1.304 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.579 -0.906 1.462 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.048 -3.859 0.879 0.00 0.00 -0.199 NA ATOM 7 C LIG 1 1.367 -3.957 0.714 0.00 0.00 +0.210 A ATOM 8 N LIG 1 -0.307 -0.416 1.214 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.289 -2.984 0.698 0.00 0.00 -0.204 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.618 -0.094 1.826 0.00 0.00 -0.289 N ATOM 11 C LIG 1 -3.977 -0.609 1.440 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -5.074 -0.024 2.371 0.00 0.00 +0.187 C ATOM 13 O LIG 1 -4.893 -0.368 3.757 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 -3.512 -0.503 4.120 0.00 0.00 +0.179 C ATOM 15 C LIG 1 -2.575 0.346 3.248 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 -4.252 -0.305 -0.027 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -4.587 0.982 -0.476 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -4.833 1.224 -1.830 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -4.733 0.188 -2.755 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -4.382 -1.091 -2.329 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.141 -1.335 -0.976 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 S LIG 1 1.963 -5.614 0.433 0.00 0.00 +0.022 S ATOM 23 O LIG 1 3.627 -5.615 0.445 0.00 0.00 -0.154 OA ATOM 24 C LIG 1 1.407 -6.315 2.003 0.00 0.00 +0.115 C ENDBRANCH 7 22 BRANCH 1 25 ATOM 25 N LIG 1 2.848 -0.692 0.882 0.00 0.00 -0.324 N ATOM 26 H LIG 1 2.515 0.216 0.605 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 5.143 0.039 1.029 0.00 0.00 +0.028 C ATOM 28 C LIG 1 4.204 -0.998 0.409 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 4.254 -1.006 -1.125 0.00 0.00 +0.009 C ATOM 30 C LIG 1 5.621 -1.089 -1.865 0.00 0.00 +0.005 C ATOM 31 C LIG 1 4.970 -0.266 -2.997 0.00 0.00 +0.001 C ATOM 32 C LIG 1 3.998 0.296 -1.938 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 0.071 0.986 1.168 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 0.383 1.512 -0.251 0.00 0.00 +0.009 C ATOM 35 C LIG 1 1.198 2.817 -0.141 0.00 0.00 +0.005 C ATOM 36 C LIG 1 1.056 3.675 -1.390 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -0.397 4.145 -1.579 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -0.649 4.497 -3.046 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -1.421 3.116 -1.064 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.879 1.692 -1.117 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8