REMARK Name = BDB026521 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.037 3.447 1.032 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -0.451 2.376 0.287 0.00 0.00 +0.305 C ATOM 3 O LIG 1 0.101 1.297 0.137 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -1.671 2.768 -0.251 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -2.009 4.126 0.129 0.00 0.00 +0.128 C ATOM 6 C LIG 1 -0.744 4.643 0.800 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.392 3.485 1.559 0.00 0.00 +0.165 C BRANCH 7 9 ATOM 8 C LIG 1 3.586 2.942 0.385 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.448 3.742 0.498 0.00 0.00 +0.071 A ATOM 10 N LIG 1 2.248 4.805 -0.338 0.00 0.00 -0.256 NA ATOM 11 C LIG 1 3.178 5.047 -1.296 0.00 0.00 +0.130 A ATOM 12 C LIG 1 4.324 4.289 -1.468 0.00 0.00 +0.071 A ATOM 13 C LIG 1 4.537 3.217 -0.606 0.00 0.00 +0.035 A BRANCH 8 20 ATOM 14 C LIG 1 2.057 -4.022 -0.971 0.00 0.00 +0.109 C ATOM 15 C LIG 1 3.212 -3.623 -0.088 0.00 0.00 +0.213 C ATOM 16 N LIG 1 3.353 -2.276 0.197 0.00 0.00 -0.299 N ATOM 17 C LIG 1 4.421 -1.861 1.112 0.00 0.00 +0.126 C ATOM 18 C LIG 1 4.121 -0.531 1.810 0.00 0.00 +0.127 C ATOM 19 N LIG 1 3.800 0.545 0.869 0.00 0.00 -0.294 N ATOM 20 C LIG 1 3.851 1.851 1.332 0.00 0.00 +0.249 C ATOM 21 O LIG 1 4.123 2.166 2.486 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 3.225 0.141 -0.423 0.00 0.00 +0.127 C ATOM 23 C LIG 1 2.498 -1.210 -0.347 0.00 0.00 +0.126 C ATOM 24 O LIG 1 3.986 -4.476 0.346 0.00 0.00 -0.276 OA ENDBRANCH 8 20 BRANCH 12 25 ATOM 25 C LIG 1 5.258 4.610 -2.500 0.00 0.00 +0.101 C ATOM 26 N LIG 1 6.012 4.867 -3.342 0.00 0.00 -0.191 NA ENDBRANCH 12 25 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 4 27 ATOM 27 C LIG 1 -2.534 1.948 -1.095 0.00 0.00 +0.142 C BRANCH 27 28 ATOM 28 C LIG 1 -3.550 1.078 -0.326 0.00 0.00 +0.146 C BRANCH 28 29 ATOM 29 O LIG 1 -4.114 1.815 0.768 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 -3.369 2.005 1.367 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -2.972 -0.256 0.196 0.00 0.00 +0.117 C BRANCH 31 32 ATOM 32 N LIG 1 -2.550 -1.182 -0.871 0.00 0.00 -0.295 NA ATOM 33 C LIG 1 -3.683 -1.898 -1.490 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -4.247 -3.045 -0.676 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -3.480 -3.669 0.325 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -4.013 -4.751 1.038 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -5.291 -5.226 0.745 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.046 -4.623 -0.258 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -2.115 -3.135 0.677 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -5.526 -3.540 -0.968 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -1.571 -2.168 -0.384 0.00 0.00 +0.089 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 9