REMARK Name = BDB058795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.358 -0.399 0.583 0.00 0.00 +0.056 A ATOM 2 C UNK A 0 0.108 -0.179 -0.792 0.00 0.00 +0.006 A ATOM 3 C UNK A 0 -1.223 0.079 -1.224 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 -1.429 0.278 -2.613 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 -0.382 0.230 -3.538 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 0.908 -0.022 -3.106 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -2.272 0.115 -0.252 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 -1.972 -0.107 1.102 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 1.148 -0.227 -1.750 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 -0.672 -0.360 1.520 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 11 N UNK A 0 1.706 -0.610 1.056 0.00 0.00 -0.216 N ATOM 12 H UNK A 0 1.721 -1.348 1.763 0.00 0.00 +0.174 HD BRANCH 11 13 ATOM 13 S UNK A 0 2.402 0.766 1.792 0.00 0.00 +0.072 S ATOM 14 O UNK A 0 1.956 1.975 1.138 0.00 0.00 -0.150 OA ATOM 15 O UNK A 0 2.255 0.568 3.220 0.00 0.00 -0.150 OA BRANCH 13 19 ATOM 16 C UNK A 0 6.805 0.197 0.710 0.00 0.00 +0.120 A ATOM 17 C UNK A 0 5.940 0.844 -0.177 0.00 0.00 +0.047 A ATOM 18 C UNK A 0 4.592 1.014 0.155 0.00 0.00 +0.032 A ATOM 19 C UNK A 0 4.111 0.526 1.373 0.00 0.00 +0.109 A ATOM 20 C UNK A 0 4.968 -0.108 2.273 0.00 0.00 +0.032 A ATOM 21 C UNK A 0 6.312 -0.274 1.932 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C UNK A 0 8.699 0.454 -0.704 0.00 0.00 +0.277 C ATOM 23 O UNK A 0 8.137 -0.033 0.508 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 13 19 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 7 24 ATOM 24 N GLU A 1 -3.624 0.376 -0.589 0.00 0.00 -0.331 N ATOM 25 H GLU A 1 -3.713 0.697 -1.553 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 CA GLU A 1 -4.551 -0.764 -0.363 0.00 0.00 +0.180 C BRANCH 26 27 ATOM 27 C GLU A 1 -4.698 -1.591 -1.645 0.00 0.00 +0.325 C ATOM 28 O GLU A 1 -4.512 -1.194 -2.787 0.00 0.00 -0.249 OA BRANCH 27 29 ATOM 29 OXT GLU A 1 -5.104 -2.857 -1.417 0.00 0.00 -0.479 OA ATOM 30 HXT GLU A 1 -5.163 -3.256 -2.311 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 CB GLU A 1 -5.929 -0.211 0.017 0.00 0.00 +0.045 C BRANCH 31 32 ATOM 32 CG GLU A 1 -5.893 0.605 1.311 0.00 0.00 +0.123 C BRANCH 32 33 ATOM 33 CD GLU A 1 -7.274 1.063 1.713 0.00 0.00 +0.305 C ATOM 34 OE1 GLU A 1 -8.319 0.627 1.257 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 OE2 GLU A 1 -7.245 2.010 2.679 0.00 0.00 -0.481 OA ATOM 36 HE2 GLU A 1 -6.344 2.274 2.946 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 24 26 ENDBRANCH 7 24 TORSDOF 12