REMARK Name = BDB035126 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.209 -2.745 -0.828 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 1.769 -2.441 0.529 0.00 0.00 +0.100 C ATOM 3 C LIG 1 0.220 -2.421 0.637 0.00 0.00 +0.100 C ATOM 4 N LIG 1 -0.521 -1.980 -0.574 0.00 0.00 -0.292 NA ATOM 5 C LIG 1 0.339 -1.110 -1.393 0.00 0.00 +0.100 C ATOM 6 C LIG 1 1.697 -1.761 -1.787 0.00 0.00 +0.100 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.836 -1.385 -0.231 0.00 0.00 +0.101 C ATOM 8 C LIG 1 -2.554 -0.690 -1.428 0.00 0.00 +0.165 C ATOM 9 N LIG 1 -3.947 -0.272 -1.151 0.00 0.00 -0.277 NA ATOM 10 C LIG 1 -4.624 -1.094 -0.413 0.00 0.00 +0.120 C ATOM 11 C LIG 1 -4.104 -2.327 0.220 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -2.773 -2.437 0.324 0.00 0.00 -0.004 C BRANCH 10 13 ATOM 13 C LIG 1 -6.104 -0.772 -0.158 0.00 0.00 +0.262 C ATOM 14 N LIG 1 -6.445 0.510 -0.525 0.00 0.00 -0.306 N ATOM 15 H LIG 1 -5.732 0.982 -1.080 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -6.862 -1.607 0.311 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -7.824 0.951 -0.571 0.00 0.00 +0.088 C ATOM 18 C LIG 1 -8.526 0.939 0.799 0.00 0.00 +0.106 C ATOM 19 N LIG 1 -9.440 2.096 0.809 0.00 0.00 -0.304 NA ATOM 20 C LIG 1 -10.721 1.770 0.182 0.00 0.00 +0.104 C ATOM 21 C LIG 1 -8.711 3.123 0.055 0.00 0.00 +0.086 C ATOM 22 C LIG 1 -7.959 2.396 -1.054 0.00 0.00 +0.039 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 3.621 -3.087 -0.971 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 7.524 1.657 1.131 0.00 0.00 +0.077 C ATOM 25 C LIG 1 6.109 1.576 1.701 0.00 0.00 +0.217 C ATOM 26 O LIG 1 5.562 2.451 2.362 0.00 0.00 -0.275 OA ATOM 27 N LIG 1 5.464 0.393 1.452 0.00 0.00 -0.307 N ATOM 28 H LIG 1 4.554 0.292 1.882 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 6.147 -0.721 0.842 0.00 0.00 +0.121 C ATOM 30 C LIG 1 6.930 -0.298 -0.426 0.00 0.00 +0.130 C ATOM 31 N LIG 1 6.160 -0.374 -1.684 0.00 0.00 -0.286 NA ATOM 32 C LIG 1 5.157 -1.177 -1.727 0.00 0.00 +0.110 C ATOM 33 C LIG 1 4.627 -2.024 -0.631 0.00 0.00 -0.018 C ATOM 34 C LIG 1 5.134 -1.789 0.589 0.00 0.00 +0.003 C ATOM 35 C LIG 1 7.478 1.142 -0.316 0.00 0.00 +0.041 C BRANCH 24 37 ATOM 36 C LIG 1 8.555 3.490 2.571 0.00 0.00 +0.004 C ATOM 37 C LIG 1 8.091 3.085 1.177 0.00 0.00 +0.009 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 6