REMARK Name = BDB032386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.932 -0.251 -1.304 0.00 0.00 -0.030 A ATOM 2 C LIG 1 1.419 -1.555 -1.271 0.00 0.00 +0.005 A ATOM 3 C LIG 1 0.040 -1.778 -1.261 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -0.857 -0.701 -1.270 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -0.342 0.602 -1.311 0.00 0.00 +0.006 A ATOM 6 C LIG 1 1.038 0.826 -1.319 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 3.425 -0.018 -1.300 0.00 0.00 +0.136 C BRANCH 7 8 ATOM 8 N LIG 1 3.960 -0.359 0.011 0.00 0.00 -0.340 N ATOM 9 H LIG 1 3.326 -0.089 0.761 0.00 0.00 +0.146 HD BRANCH 8 14 ATOM 10 C LIG 1 9.377 0.575 1.356 0.00 0.00 +0.124 A ATOM 11 C LIG 1 8.014 0.354 1.061 0.00 0.00 +0.022 A ATOM 12 C LIG 1 7.644 0.301 -0.297 0.00 0.00 -0.011 A ATOM 13 C LIG 1 6.297 0.074 -0.649 0.00 0.00 +0.031 A ATOM 14 C LIG 1 5.292 -0.066 0.316 0.00 0.00 +0.028 A ATOM 15 C LIG 1 5.677 -0.041 1.660 0.00 0.00 +0.023 A ATOM 16 C LIG 1 8.629 0.474 -1.274 0.00 0.00 +0.028 A ATOM 17 C LIG 1 9.933 0.700 -0.871 0.00 0.00 +0.113 A ATOM 18 C LIG 1 7.008 0.181 2.032 0.00 0.00 +0.014 A ATOM 19 N LIG 1 10.325 0.754 0.417 0.00 0.00 -0.240 NA BRANCH 10 20 ATOM 20 N LIG 1 9.848 0.627 2.673 0.00 0.00 -0.343 N ATOM 21 H LIG 1 9.617 -0.228 3.165 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 10.855 0.755 2.604 0.00 0.00 +0.144 HD ENDBRANCH 10 20 ENDBRANCH 8 14 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 23 ATOM 23 C LIG 1 -2.345 -0.954 -1.300 0.00 0.00 +0.195 C BRANCH 23 24 ATOM 24 O LIG 1 -3.029 0.042 -0.538 0.00 0.00 -0.372 OA BRANCH 24 25 ATOM 25 C LIG 1 -4.451 -0.114 -0.561 0.00 0.00 +0.121 C ATOM 26 C LIG 1 -4.895 -1.279 0.334 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -6.247 -1.033 1.010 0.00 0.00 +0.087 C ATOM 28 N LIG 1 -7.120 -0.251 0.137 0.00 0.00 -0.299 NA ATOM 29 C LIG 1 -6.606 1.105 -0.094 0.00 0.00 +0.087 C ATOM 30 C LIG 1 -5.076 1.188 -0.075 0.00 0.00 +0.047 C BRANCH 28 31 ATOM 31 C LIG 1 -8.547 -0.390 0.471 0.00 0.00 +0.057 C ATOM 32 C LIG 1 -9.150 0.309 1.658 0.00 0.00 +0.020 C ATOM 33 C LIG 1 -9.562 0.701 0.267 0.00 0.00 +0.020 C ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 8