REMARK Name = BDB031806 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.701 -1.886 0.198 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.433 -1.625 1.555 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.154 -1.182 1.913 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.125 -1.004 0.998 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.985 -0.528 1.768 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -0.660 -0.440 3.061 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.375 -1.297 -0.355 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.614 -0.841 3.120 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.065 -0.856 4.026 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.654 -1.738 -0.729 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.635 2.103 -1.942 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.843 0.963 -1.157 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.546 -0.108 -1.696 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.930 -1.460 -1.162 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.072 -2.329 -0.262 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.714 -2.091 -2.290 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.734 -1.180 -3.331 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.201 -1.361 -4.205 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.223 -3.199 -2.262 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.325 -1.662 0.272 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.053 -0.006 -3.001 0.00 0.00 +0.038 A ATOM 22 C LIG 1 4.884 1.107 -3.794 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.162 2.170 -3.247 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 2.236 3.135 -0.320 0.00 0.00 +0.277 C ATOM 25 O LIG 1 2.941 3.218 -1.554 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.175 -0.247 1.192 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -2.277 -0.358 0.190 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.316 0.414 1.714 0.00 0.00 +0.170 A ATOM 29 C LIG 1 -4.468 0.430 0.922 0.00 0.00 +0.179 A ATOM 30 C LIG 1 -5.565 1.051 1.480 0.00 0.00 +0.162 A ATOM 31 N LIG 1 -5.569 1.621 2.702 0.00 0.00 -0.237 NA ATOM 32 C LIG 1 -4.418 1.548 3.392 0.00 0.00 +0.128 A ATOM 33 C LIG 1 -4.371 2.188 4.743 0.00 0.00 +0.088 C ATOM 34 N LIG 1 -3.292 0.978 2.938 0.00 0.00 -0.214 NA BRANCH 29 35 ATOM 35 O LIG 1 -4.384 -0.157 -0.311 0.00 0.00 -0.484 OA BRANCH 35 36 ATOM 36 C LIG 1 -5.529 -0.141 -1.171 0.00 0.00 +0.168 C ATOM 37 C LIG 1 -5.003 -0.265 -2.599 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -6.442 -1.321 -0.849 0.00 0.00 +0.051 C ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6