REMARK Name = BDB043062 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 1.014 -1.328 -1.509 0.00 0.00 +0.184 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 0.414 0.186 -3.328 0.00 0.00 -0.249 OA ATOM 3 C LIG 1 0.639 0.021 -2.138 0.00 0.00 +0.326 C BRANCH 3 4 ATOM 4 OXT LIG 1 0.570 1.028 -1.232 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 0.648 0.666 -0.321 0.00 0.00 +0.295 HD ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 6 ATOM 6 N LIG 1 1.853 -1.099 -0.284 0.00 0.00 -0.331 N ATOM 7 H LIG 1 2.394 -0.235 -0.406 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 2.820 -2.128 -0.098 0.00 0.00 +0.031 A ATOM 9 C LIG 1 4.120 -2.056 -0.654 0.00 0.00 -0.022 A ATOM 10 C LIG 1 5.007 -3.136 -0.466 0.00 0.00 +0.006 A ATOM 11 C LIG 1 4.620 -4.271 0.247 0.00 0.00 +0.000 A ATOM 12 C LIG 1 3.339 -4.346 0.781 0.00 0.00 +0.002 A ATOM 13 C LIG 1 2.447 -3.287 0.603 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 4.618 -0.872 -1.468 0.00 0.00 +0.072 C BRANCH 14 15 ATOM 15 C LIG 1 4.683 0.460 -0.747 0.00 0.00 -0.043 A ATOM 16 C LIG 1 5.046 0.560 0.606 0.00 0.00 +0.004 A ATOM 17 C LIG 1 5.143 1.809 1.227 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.889 2.972 0.502 0.00 0.00 +0.000 A ATOM 19 C LIG 1 4.543 2.885 -0.846 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.439 1.639 -1.467 0.00 0.00 +0.004 A ENDBRANCH 14 15 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 21 ATOM 21 C LIG 1 -0.275 -2.119 -1.226 0.00 0.00 +0.068 C BRANCH 21 22 ATOM 22 C LIG 1 -1.278 -1.445 -0.316 0.00 0.00 -0.045 A ATOM 23 C LIG 1 -1.090 -1.419 1.070 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -2.031 -0.807 1.901 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -3.175 -0.218 1.364 0.00 0.00 +0.121 A ATOM 26 C LIG 1 -3.354 -0.208 -0.017 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -2.413 -0.821 -0.851 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 O LIG 1 -4.018 0.346 2.278 0.00 0.00 -0.487 OA BRANCH 28 29 ATOM 29 C LIG 1 -5.406 0.394 1.934 0.00 0.00 +0.264 C BRANCH 29 30 ATOM 30 C LIG 1 -5.838 1.747 1.410 0.00 0.00 -0.010 A ATOM 31 C LIG 1 -6.924 1.835 0.530 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -7.373 3.077 0.074 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.750 4.246 0.504 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.678 4.174 1.387 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.227 2.932 1.843 0.00 0.00 +0.007 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 11