REMARK Name = BDB004070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.351 1.088 -0.927 0.00 0.00 +0.134 A ATOM 2 C LIG 1 -0.992 0.725 -0.812 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -0.078 1.607 -1.401 0.00 0.00 +0.079 A ATOM 4 C LIG 1 1.277 1.307 -1.332 0.00 0.00 +0.074 A ATOM 5 C LIG 1 1.760 0.164 -0.689 0.00 0.00 +0.123 A ATOM 6 C LIG 1 0.860 -0.709 -0.092 0.00 0.00 +0.046 A ATOM 7 N LIG 1 -0.456 2.727 -2.024 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 -1.767 2.984 -2.058 0.00 0.00 +0.223 A ATOM 9 C LIG 1 -0.507 -0.432 -0.150 0.00 0.00 +0.017 A ATOM 10 N LIG 1 -2.734 2.221 -1.541 0.00 0.00 -0.220 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -3.340 0.215 -0.395 0.00 0.00 -0.299 N ATOM 12 H LIG 1 -3.205 -0.706 -0.799 0.00 0.00 +0.154 HD BRANCH 11 17 ATOM 13 C LIG 1 -8.813 1.381 0.783 0.00 0.00 +0.074 A ATOM 14 C LIG 1 -7.474 0.910 0.459 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -6.548 1.960 0.458 0.00 0.00 +0.022 A ATOM 16 C LIG 1 -5.181 1.756 0.168 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -4.709 0.482 -0.161 0.00 0.00 +0.033 A ATOM 18 C LIG 1 -5.609 -0.581 -0.125 0.00 0.00 +0.024 A ATOM 19 S LIG 1 -7.286 3.461 0.853 0.00 0.00 -0.096 S ATOM 20 C LIG 1 -6.967 -0.382 0.164 0.00 0.00 +0.011 A ATOM 21 C LIG 1 -8.816 2.746 1.012 0.00 0.00 +0.061 A BRANCH 13 22 ATOM 22 C LIG 1 -10.059 0.617 0.885 0.00 0.00 +0.340 C ATOM 23 O LIG 1 -11.133 1.131 1.179 0.00 0.00 -0.245 OA BRANCH 22 24 ATOM 24 O LIG 1 -9.908 -0.712 0.621 0.00 0.00 -0.461 OA BRANCH 24 26 ATOM 25 C LIG 1 -10.784 -2.921 0.394 0.00 0.00 +0.048 C ATOM 26 C LIG 1 -11.116 -1.477 0.713 0.00 0.00 +0.229 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 13 22 ENDBRANCH 11 17 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 O LIG 1 3.120 0.024 -0.716 0.00 0.00 -0.492 OA BRANCH 27 28 ATOM 28 C LIG 1 3.679 -1.097 -0.033 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 C LIG 1 5.201 -1.051 -0.169 0.00 0.00 +0.056 C BRANCH 29 30 ATOM 30 C LIG 1 5.793 0.179 0.536 0.00 0.00 +0.088 C BRANCH 30 31 ATOM 31 N LIG 1 7.253 0.320 0.504 0.00 0.00 -0.300 NA ATOM 32 C LIG 1 7.978 -0.753 1.198 0.00 0.00 +0.100 C ATOM 33 C LIG 1 9.507 -0.509 1.205 0.00 0.00 +0.099 C ATOM 34 N LIG 1 10.109 -0.271 -0.123 0.00 0.00 -0.303 NA ATOM 35 C LIG 1 10.191 -1.501 -0.907 0.00 0.00 +0.105 C ATOM 36 C LIG 1 9.328 0.770 -0.823 0.00 0.00 +0.099 C ATOM 37 C LIG 1 7.796 0.537 -0.845 0.00 0.00 +0.100 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 10