REMARK Name = BDB010274 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.529 -1.831 -0.732 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -0.014 -0.702 -1.246 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -0.886 0.511 -1.232 0.00 0.00 +0.265 A ATOM 4 O LIG 1 -0.411 1.547 -1.701 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 -2.133 0.378 -0.636 0.00 0.00 -0.232 N ATOM 6 C LIG 1 -2.536 -0.849 -0.150 0.00 0.00 +0.123 A ATOM 7 N LIG 1 -1.773 -1.898 -0.175 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -2.931 1.554 -0.537 0.00 0.00 +0.239 A ATOM 9 N LIG 1 -3.737 1.717 0.527 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 -4.462 2.857 0.606 0.00 0.00 +0.161 A ATOM 11 C LIG 1 -4.435 3.862 -0.331 0.00 0.00 +0.157 A ATOM 12 C LIG 1 -3.595 3.610 -1.386 0.00 0.00 +0.161 A ATOM 13 N LIG 1 -2.856 2.484 -1.508 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 -5.216 4.950 -0.115 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 -5.173 5.975 -1.109 0.00 0.00 +0.226 C ATOM 16 C LIG 1 -6.101 7.093 -0.671 0.00 0.00 +0.048 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 17 ATOM 17 C LIG 1 -3.943 -1.063 0.454 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -4.510 -2.482 0.238 0.00 0.00 +0.011 C ATOM 19 C LIG 1 -4.563 -3.155 1.607 0.00 0.00 +0.001 C ATOM 20 C LIG 1 -3.687 -2.307 2.508 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -3.893 -0.896 1.978 0.00 0.00 +0.011 C ENDBRANCH 6 17 BRANCH 1 22 ATOM 22 C LIG 1 0.221 -3.150 -0.678 0.00 0.00 +0.056 C BRANCH 22 23 ATOM 23 C LIG 1 -0.005 -4.052 -1.899 0.00 0.00 +0.006 C BRANCH 23 25 ATOM 24 C LIG 1 -1.937 -5.438 -0.972 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -1.437 -4.554 -2.104 0.00 0.00 -0.003 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 1 22 BRANCH 2 26 ATOM 26 C LIG 1 1.343 -0.554 -1.894 0.00 0.00 +0.079 C BRANCH 26 27 ATOM 27 C LIG 1 2.449 -0.154 -0.944 0.00 0.00 -0.025 A ATOM 28 C LIG 1 3.463 -1.042 -0.604 0.00 0.00 +0.115 A ATOM 29 N LIG 1 4.496 -0.752 0.228 0.00 0.00 -0.255 NA ATOM 30 C LIG 1 4.519 0.487 0.782 0.00 0.00 +0.072 A ATOM 31 C LIG 1 3.553 1.447 0.492 0.00 0.00 +0.028 A ATOM 32 C LIG 1 2.519 1.123 -0.384 0.00 0.00 +0.007 A BRANCH 30 33 ATOM 33 C LIG 1 5.615 0.755 1.721 0.00 0.00 +0.011 A ATOM 34 C LIG 1 6.969 0.887 1.341 0.00 0.00 +0.030 A ATOM 35 C LIG 1 7.941 1.225 2.301 0.00 0.00 +0.012 A ATOM 36 C LIG 1 7.592 1.405 3.639 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.268 1.257 4.032 0.00 0.00 +0.001 A ATOM 38 C LIG 1 5.293 0.939 3.084 0.00 0.00 +0.011 A BRANCH 34 39 ATOM 39 C LIG 1 7.465 0.718 -0.039 0.00 0.00 +0.183 A ATOM 40 N LIG 1 6.907 -0.157 -0.881 0.00 0.00 -0.271 N ATOM 41 H LIG 1 6.107 -0.751 -0.710 0.00 0.00 +0.174 HD ATOM 42 C LIG 1 7.574 -0.074 -2.038 0.00 0.00 +0.440 A ATOM 43 O LIG 1 7.335 -0.705 -3.057 0.00 0.00 -0.221 OA ATOM 44 O LIG 1 8.579 0.849 -1.891 0.00 0.00 -0.295 OA ATOM 45 N LIG 1 8.474 1.345 -0.550 0.00 0.00 -0.054 NA ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 11