REMARK Name = BDB061873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.676 0.162 -1.097 0.00 0.00 +0.037 A ATOM 2 N LIG 1 -2.029 -0.394 -2.168 0.00 0.00 -0.281 N ATOM 3 H LIG 1 -2.436 -0.753 -3.026 0.00 0.00 +0.189 HD ATOM 4 N LIG 1 -0.693 -0.452 -2.023 0.00 0.00 -0.171 NA ATOM 5 C LIG 1 -0.484 0.097 -0.819 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -1.685 0.497 -0.201 0.00 0.00 +0.056 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 0.943 0.248 -0.217 0.00 0.00 +0.159 A ATOM 8 N LIG 1 2.068 -0.166 -0.878 0.00 0.00 -0.337 N ATOM 9 H LIG 1 2.062 -0.593 -1.792 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 3.152 0.102 -0.086 0.00 0.00 +0.068 A ATOM 11 C LIG 1 2.607 0.689 1.047 0.00 0.00 +0.090 A ATOM 12 C LIG 1 3.465 1.095 2.071 0.00 0.00 +0.032 A ATOM 13 C LIG 1 4.848 0.894 1.911 0.00 0.00 +0.025 A ATOM 14 C LIG 1 5.409 0.297 0.765 0.00 0.00 +0.032 A ATOM 15 C LIG 1 4.527 -0.106 -0.258 0.00 0.00 +0.051 A ATOM 16 N LIG 1 1.238 0.771 0.955 0.00 0.00 -0.226 NA BRANCH 14 17 ATOM 17 N LIG 1 6.779 0.118 0.638 0.00 0.00 -0.327 N ATOM 18 C LIG 1 7.743 0.855 1.473 0.00 0.00 +0.120 C ATOM 19 C LIG 1 9.116 0.939 0.767 0.00 0.00 +0.103 C ATOM 20 N LIG 1 9.736 -0.374 0.487 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 10.665 -0.273 -0.635 0.00 0.00 +0.105 C ATOM 22 C LIG 1 8.711 -1.415 0.262 0.00 0.00 +0.103 C ATOM 23 C LIG 1 7.341 -0.912 -0.252 0.00 0.00 +0.120 C ENDBRANCH 14 17 ENDBRANCH 5 7 BRANCH 1 24 ATOM 24 C LIG 1 -4.156 0.317 -1.043 0.00 0.00 +0.059 C BRANCH 24 25 ATOM 25 C LIG 1 -4.817 -0.854 -0.309 0.00 0.00 +0.041 C BRANCH 25 30 ATOM 26 C LIG 1 -8.321 0.158 0.801 0.00 0.00 +0.124 A ATOM 27 C LIG 1 -9.098 -0.398 -0.223 0.00 0.00 +0.091 A ATOM 28 C LIG 1 -8.501 -1.103 -1.267 0.00 0.00 +0.124 A ATOM 29 C LIG 1 -7.113 -1.252 -1.283 0.00 0.00 +0.049 A ATOM 30 C LIG 1 -6.318 -0.707 -0.266 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -6.934 0.004 0.775 0.00 0.00 +0.049 A BRANCH 26 33 ATOM 32 C LIG 1 -8.301 1.393 2.834 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -9.037 0.825 1.758 0.00 0.00 -0.495 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 -9.149 -1.685 -2.321 0.00 0.00 -0.495 OA ATOM 35 C LIG 1 -10.568 -1.579 -2.339 0.00 0.00 +0.277 C ENDBRANCH 28 34 ENDBRANCH 25 30 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 7