REMARK Name = BDB034421 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.039 0.473 1.793 0.00 0.00 -0.343 N ATOM 2 H LIG 1 -0.054 -0.480 1.442 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.194 1.109 1.570 0.00 0.00 +0.038 A ATOM 4 C LIG 1 2.402 0.350 1.527 0.00 0.00 +0.021 A ATOM 5 C LIG 1 3.619 1.048 1.323 0.00 0.00 +0.076 A ATOM 6 C LIG 1 4.811 0.341 1.247 0.00 0.00 +0.074 A ATOM 7 C LIG 1 4.843 -1.049 1.366 0.00 0.00 +0.130 A ATOM 8 C LIG 1 3.672 -1.750 1.611 0.00 0.00 +0.047 A ATOM 9 N LIG 1 3.685 2.381 1.206 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 2.541 3.077 1.315 0.00 0.00 +0.113 A ATOM 11 C LIG 1 2.463 -1.058 1.686 0.00 0.00 +0.015 A ATOM 12 C LIG 1 1.300 2.500 1.506 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 O LIG 1 6.011 -1.775 1.333 0.00 0.00 -0.456 OA BRANCH 13 14 ATOM 14 C LIG 1 6.905 -1.493 0.325 0.00 0.00 +0.128 A ATOM 15 C LIG 1 8.248 -1.380 0.683 0.00 0.00 +0.046 A ATOM 16 C LIG 1 9.210 -1.129 -0.295 0.00 0.00 +0.004 A ATOM 17 C LIG 1 8.829 -1.007 -1.632 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.488 -1.143 -1.993 0.00 0.00 +0.004 A ATOM 19 C LIG 1 6.524 -1.395 -1.016 0.00 0.00 +0.046 A ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 -1.325 1.147 1.629 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 C LIG 1 -1.679 1.411 0.163 0.00 0.00 +0.034 C BRANCH 21 22 ATOM 22 C LIG 1 -1.952 0.117 -0.612 0.00 0.00 +0.083 C BRANCH 22 23 ATOM 23 N LIG 1 -2.299 0.325 -2.023 0.00 0.00 -0.312 NA ATOM 24 H LIG 1 -1.589 0.916 -2.454 0.00 0.00 +0.122 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.609 0.957 -2.229 0.00 0.00 +0.120 C BRANCH 25 28 ATOM 26 C LIG 1 -6.758 -0.239 -0.380 0.00 0.00 +0.162 A ATOM 27 C LIG 1 -5.670 0.548 -0.793 0.00 0.00 +0.163 A ATOM 28 C LIG 1 -4.774 0.113 -1.773 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -4.989 -1.150 -2.345 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -6.066 -1.944 -1.944 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.951 -1.490 -0.963 0.00 0.00 +0.049 A BRANCH 26 33 ATOM 32 C LIG 1 -8.661 -0.435 1.033 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -7.544 0.329 0.591 0.00 0.00 -0.491 OA ENDBRANCH 26 33 BRANCH 27 34 ATOM 34 O LIG 1 -5.490 1.777 -0.207 0.00 0.00 -0.503 OA ATOM 35 H LIG 1 -6.237 1.865 0.418 0.00 0.00 +0.292 HD ENDBRANCH 27 34 ENDBRANCH 25 28 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 11