REMARK Name = BDB038735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.207 0.224 1.250 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.539 1.117 2.211 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -2.832 1.240 2.600 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.829 0.467 2.014 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.508 -0.455 1.015 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.165 -0.575 0.642 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.505 -0.415 -0.590 0.00 0.00 -0.030 A ATOM 8 C LIG 1 3.194 -0.857 -0.828 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.181 -0.329 -0.047 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.741 -0.617 -0.090 0.00 0.00 +0.253 C ATOM 11 N LIG 1 0.152 0.159 0.898 0.00 0.00 -0.248 N ATOM 12 C LIG 1 1.121 0.981 1.607 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.250 -1.394 -0.889 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.410 0.612 0.951 0.00 0.00 -0.018 A ATOM 15 C LIG 1 3.692 1.064 1.202 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.737 0.546 0.428 0.00 0.00 +0.005 A BRANCH 7 18 ATOM 17 C LIG 1 6.554 -1.846 -0.536 0.00 0.00 +0.029 C ATOM 18 C LIG 1 5.658 -0.972 -1.421 0.00 0.00 +0.081 C BRANCH 18 19 ATOM 19 N LIG 1 6.389 0.139 -2.057 0.00 0.00 -0.303 NA ATOM 20 H LIG 1 5.693 0.767 -2.462 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.349 -0.362 -3.058 0.00 0.00 +0.106 C ATOM 22 C LIG 1 8.775 -0.381 -2.486 0.00 0.00 +0.180 C ATOM 23 O LIG 1 9.251 0.473 -3.561 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 7.880 0.810 -3.901 0.00 0.00 +0.180 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 -4.550 -1.278 0.371 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -5.639 -0.721 -0.341 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -6.631 -1.561 -0.880 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -6.541 -2.949 -0.750 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -5.458 -3.508 -0.072 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -4.477 -2.681 0.484 0.00 0.00 +0.010 A BRANCH 26 31 ATOM 31 C LIG 1 -5.798 0.719 -0.533 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -5.000 1.534 -1.297 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -3.871 1.175 -2.112 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -5.508 2.792 -1.173 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -6.568 2.763 -0.400 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -6.760 1.458 -0.010 0.00 0.00 -0.129 NA ENDBRANCH 26 31 BRANCH 28 37 ATOM 37 C LIG 1 -7.553 -3.794 -1.312 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -8.364 -4.484 -1.774 0.00 0.00 -0.191 NA ENDBRANCH 28 37 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -3.174 2.252 3.667 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -2.289 2.402 4.883 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -3.648 1.786 5.025 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 8