REMARK Name = BDB035127 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.353 -0.746 1.489 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 -0.872 -0.038 0.282 0.00 0.00 +0.100 C ATOM 3 C LIG 1 0.654 -0.161 0.081 0.00 0.00 +0.100 C ATOM 4 N LIG 1 1.411 0.520 1.152 0.00 0.00 -0.292 NA ATOM 5 C LIG 1 0.740 0.337 2.462 0.00 0.00 +0.100 C ATOM 6 C LIG 1 -0.295 -0.811 2.517 0.00 0.00 +0.100 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.846 0.155 1.185 0.00 0.00 +0.101 C ATOM 8 C LIG 1 3.514 0.047 -0.221 0.00 0.00 +0.165 C ATOM 9 N LIG 1 4.986 -0.115 -0.187 0.00 0.00 -0.277 NA ATOM 10 C LIG 1 5.585 0.575 0.733 0.00 0.00 +0.120 C ATOM 11 C LIG 1 4.926 1.408 1.765 0.00 0.00 +0.030 C ATOM 12 C LIG 1 3.625 1.178 1.985 0.00 0.00 -0.004 C BRANCH 10 13 ATOM 13 C LIG 1 7.120 0.537 0.767 0.00 0.00 +0.262 C ATOM 14 N LIG 1 7.649 -0.431 -0.056 0.00 0.00 -0.306 N ATOM 15 H LIG 1 6.973 -0.864 -0.682 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 7.759 1.320 1.451 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 9.070 -0.483 -0.361 0.00 0.00 +0.088 C ATOM 18 C LIG 1 9.468 0.538 -1.426 0.00 0.00 +0.103 C ATOM 19 N LIG 1 9.054 -0.086 -2.696 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 8.048 0.057 -2.798 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 9.304 -1.525 -2.528 0.00 0.00 +0.083 C ATOM 22 C LIG 1 9.436 -1.798 -1.031 0.00 0.00 +0.038 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 -2.586 -0.143 2.014 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 -7.972 0.036 -1.706 0.00 0.00 +0.077 C ATOM 25 C LIG 1 -7.729 1.379 -1.002 0.00 0.00 +0.217 C ATOM 26 O LIG 1 -8.531 2.306 -0.979 0.00 0.00 -0.275 OA ATOM 27 N LIG 1 -6.486 1.529 -0.440 0.00 0.00 -0.307 N ATOM 28 H LIG 1 -6.297 2.418 0.004 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 -5.552 0.436 -0.436 0.00 0.00 +0.121 C ATOM 30 C LIG 1 -6.288 -0.826 0.041 0.00 0.00 +0.130 C ATOM 31 N LIG 1 -5.382 -1.973 0.240 0.00 0.00 -0.286 NA ATOM 32 C LIG 1 -4.247 -1.657 0.772 0.00 0.00 +0.110 C ATOM 33 C LIG 1 -3.759 -0.280 1.088 0.00 0.00 -0.018 C ATOM 34 C LIG 1 -4.399 0.730 0.471 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -7.402 -1.186 -0.949 0.00 0.00 +0.041 C BRANCH 24 37 ATOM 36 C LIG 1 -10.441 -0.295 -1.010 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -9.434 -0.150 -2.146 0.00 0.00 +0.009 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 6