REMARK Name = BDB015936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.508 2.288 -0.493 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.545 1.470 -0.028 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.683 1.986 0.192 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -0.960 3.335 -0.007 0.00 0.00 +0.060 A ATOM 5 C LIG 1 0.095 4.083 -0.499 0.00 0.00 +0.126 A ATOM 6 N LIG 1 1.328 3.594 -0.750 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.361 -0.239 -0.724 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.103 0.341 -0.485 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.841 1.703 -0.746 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.900 2.475 -1.256 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.157 1.917 -1.495 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.386 0.568 -1.229 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 3.717 -5.120 -0.065 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.297 -3.804 -0.166 0.00 0.00 -0.274 N ATOM 15 N LIG 1 5.616 -3.645 0.043 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.801 -2.333 -0.129 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.605 -1.645 -0.447 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.649 -2.641 -0.465 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.240 3.973 0.269 0.00 0.00 +0.097 A ATOM 20 N LIG 1 -2.703 4.968 -0.508 0.00 0.00 -0.171 NA ATOM 21 N LIG 1 -3.880 5.311 0.042 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -4.660 6.367 -0.555 0.00 0.00 +0.172 C ATOM 23 C LIG 1 -4.194 4.586 1.150 0.00 0.00 +0.108 A ATOM 24 C LIG 1 -3.149 3.713 1.331 0.00 0.00 +0.049 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.685 1.093 0.652 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.521 1.237 0.087 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.412 -0.298 0.874 0.00 0.00 +0.073 C ATOM 28 C LIG 1 -1.379 -1.141 -0.434 0.00 0.00 +0.029 C ATOM 29 C LIG 1 -2.239 -2.143 0.294 0.00 0.00 -0.023 C ATOM 30 C LIG 1 -3.285 -2.935 -0.451 0.00 0.00 +0.025 C ATOM 31 C LIG 1 -2.966 -4.097 0.528 0.00 0.00 +0.052 C ATOM 32 C LIG 1 -1.604 -3.413 0.826 0.00 0.00 +0.025 C ATOM 33 C LIG 1 -2.681 -1.093 1.293 0.00 0.00 +0.029 C BRANCH 31 34 ATOM 34 N LIG 1 -2.744 -5.323 -0.228 0.00 0.00 -0.327 NA ATOM 35 H LIG 1 -2.360 -6.085 0.329 0.00 0.00 +0.118 HD ATOM 36 H LIG 1 -2.132 -5.227 -1.037 0.00 0.00 +0.118 HD ENDBRANCH 31 34 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 6