REMARK Name = BDB062826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.337 -0.122 -0.962 0.00 0.00 -0.245 N ATOM 2 C LIG 1 -1.203 -1.431 -0.594 0.00 0.00 +0.166 A ATOM 3 C LIG 1 0.068 -1.552 -0.063 0.00 0.00 +0.086 A ATOM 4 C LIG 1 0.432 -2.830 0.370 0.00 0.00 +0.133 A ATOM 5 N LIG 1 -0.471 -3.829 0.271 0.00 0.00 -0.199 NA ATOM 6 C LIG 1 -1.687 -3.574 -0.235 0.00 0.00 +0.216 A ATOM 7 C LIG 1 0.627 -0.243 -0.153 0.00 0.00 +0.105 A ATOM 8 N LIG 1 -2.119 -2.405 -0.715 0.00 0.00 -0.195 NA ATOM 9 N LIG 1 -0.222 0.610 -0.754 0.00 0.00 -0.169 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 1.936 0.226 0.295 0.00 0.00 +0.005 A ATOM 11 C LIG 1 2.733 0.990 -0.580 0.00 0.00 +0.041 A ATOM 12 C LIG 1 3.984 1.431 -0.130 0.00 0.00 +0.112 A ATOM 13 C LIG 1 4.386 1.112 1.156 0.00 0.00 +0.157 A ATOM 14 O LIG 1 5.625 1.649 1.349 0.00 0.00 -0.425 OA ATOM 15 C LIG 1 5.893 2.272 0.166 0.00 0.00 +0.286 A ATOM 16 C LIG 1 3.636 0.375 2.062 0.00 0.00 +0.049 A ATOM 17 N LIG 1 4.963 2.163 -0.752 0.00 0.00 -0.196 NA ATOM 18 C LIG 1 2.386 -0.062 1.599 0.00 0.00 +0.014 A BRANCH 15 19 ATOM 19 N LIG 1 7.073 2.889 0.080 0.00 0.00 -0.313 N ATOM 20 H LIG 1 7.403 3.061 -0.862 0.00 0.00 +0.147 HD ATOM 21 H LIG 1 7.792 2.575 0.719 0.00 0.00 +0.147 HD ENDBRANCH 15 19 ENDBRANCH 7 10 BRANCH 6 22 ATOM 22 N LIG 1 -2.560 -4.641 -0.315 0.00 0.00 -0.327 N ATOM 23 H LIG 1 -2.041 -5.508 -0.320 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -3.228 -4.491 -1.058 0.00 0.00 +0.145 HD ENDBRANCH 6 22 BRANCH 4 25 ATOM 25 N LIG 1 1.679 -3.169 0.878 0.00 0.00 -0.342 N ATOM 26 H LIG 1 1.793 -4.178 0.885 0.00 0.00 +0.144 HD ATOM 27 H LIG 1 2.455 -2.646 0.493 0.00 0.00 +0.144 HD ENDBRANCH 4 25 BRANCH 1 28 ATOM 28 C LIG 1 -2.490 0.484 -1.598 0.00 0.00 +0.152 C BRANCH 28 30 ATOM 29 C LIG 1 -4.634 1.767 -1.514 0.00 0.00 +0.012 C ATOM 30 C LIG 1 -3.490 1.197 -0.651 0.00 0.00 -0.018 C ATOM 31 C LIG 1 -4.093 0.218 0.369 0.00 0.00 +0.012 C ATOM 32 C LIG 1 -2.822 2.362 0.099 0.00 0.00 +0.012 C ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 6