REMARK Name = BDB022895 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.288 1.460 -1.355 0.00 0.00 +0.216 A ATOM 2 N LIG 1 2.345 1.536 -0.408 0.00 0.00 -0.218 NA ATOM 3 C LIG 1 1.249 0.755 -0.542 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.210 0.848 0.550 0.00 0.00 +0.163 C ATOM 5 N LIG 1 -1.014 0.056 0.344 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -0.866 -1.191 -0.427 0.00 0.00 +0.078 C ATOM 7 C LIG 1 -0.137 -0.946 -1.760 0.00 0.00 +0.060 C ATOM 8 C LIG 1 -0.186 -2.280 0.412 0.00 0.00 +0.028 C ATOM 9 C LIG 1 -2.026 0.287 1.274 0.00 0.00 +0.220 C ATOM 10 O LIG 1 -1.890 1.147 2.151 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 1.091 -0.114 -1.602 0.00 0.00 -0.005 A ATOM 12 C LIG 1 2.106 -0.105 -2.531 0.00 0.00 +0.120 A ATOM 13 N LIG 1 3.207 0.659 -2.426 0.00 0.00 -0.223 NA ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 -3.354 -0.473 1.155 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.309 0.336 0.238 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.780 0.162 0.679 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -6.056 0.562 2.067 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -6.662 1.890 2.144 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -4.886 0.478 2.951 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -3.962 -0.673 2.561 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.136 0.000 -1.238 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -4.498 -1.251 -1.761 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.332 -1.531 -3.119 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.805 -0.564 -3.972 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.442 0.682 -3.468 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.604 0.963 -2.110 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 9 14 BRANCH 1 27 ATOM 27 N LIG 1 4.386 2.291 -1.179 0.00 0.00 -0.308 N ATOM 28 H LIG 1 4.364 2.545 -0.195 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 5.652 1.659 -1.529 0.00 0.00 +0.161 C BRANCH 29 32 ATOM 30 N LIG 1 6.804 -0.370 1.165 0.00 0.00 -0.271 N ATOM 31 N LIG 1 6.451 0.827 0.664 0.00 0.00 -0.175 NA ATOM 32 C LIG 1 6.134 0.563 -0.615 0.00 0.00 +0.080 A ATOM 33 C LIG 1 6.289 -0.812 -0.913 0.00 0.00 +0.046 A ATOM 34 C LIG 1 6.726 -1.385 0.257 0.00 0.00 +0.108 A BRANCH 30 36 ATOM 35 C LIG 1 8.665 -0.119 2.760 0.00 0.00 +0.029 C ATOM 36 C LIG 1 7.204 -0.479 2.555 0.00 0.00 +0.140 C ENDBRANCH 30 36 ENDBRANCH 29 32 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 6