REMARK Name = BDB004263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.218 -0.352 1.307 0.00 0.00 +0.006 C ATOM 2 C LIG 1 0.574 1.109 1.002 0.00 0.00 +0.024 C ATOM 3 C LIG 1 2.061 1.369 1.257 0.00 0.00 +0.107 C ATOM 4 N LIG 1 2.866 0.452 0.437 0.00 0.00 -0.315 N ATOM 5 C LIG 1 2.599 -0.971 0.699 0.00 0.00 +0.107 C ATOM 6 C LIG 1 1.117 -1.276 0.468 0.00 0.00 +0.024 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 4.248 0.746 0.507 0.00 0.00 +0.121 A ATOM 8 N LIG 1 4.715 1.583 1.460 0.00 0.00 -0.240 NA ATOM 9 C LIG 1 6.043 1.844 1.492 0.00 0.00 +0.117 A ATOM 10 C LIG 1 6.974 1.322 0.602 0.00 0.00 -0.021 A ATOM 11 C LIG 1 6.478 0.468 -0.383 0.00 0.00 +0.009 A ATOM 12 C LIG 1 5.114 0.185 -0.432 0.00 0.00 +0.044 A BRANCH 10 13 ATOM 13 C LIG 1 8.448 1.662 0.743 0.00 0.00 +0.065 C ATOM 14 C LIG 1 9.241 0.612 1.567 0.00 0.00 +0.068 C ATOM 15 C LIG 1 10.728 0.985 1.526 0.00 0.00 +0.238 C ATOM 16 O LIG 1 11.280 1.085 0.213 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 10.530 1.779 -0.695 0.00 0.00 +0.128 A ATOM 18 C LIG 1 11.205 2.164 -1.855 0.00 0.00 +0.091 A ATOM 19 C LIG 1 10.541 2.886 -2.837 0.00 0.00 +0.120 A ATOM 20 C LIG 1 9.206 3.234 -2.677 0.00 0.00 +0.046 A ATOM 21 C LIG 1 8.528 2.837 -1.522 0.00 0.00 +0.011 A ATOM 22 C LIG 1 9.171 2.073 -0.529 0.00 0.00 +0.003 A BRANCH 14 23 ATOM 23 C LIG 1 8.974 -0.859 1.248 0.00 0.00 -0.040 A ATOM 24 C LIG 1 9.539 -1.522 0.149 0.00 0.00 +0.004 A ATOM 25 C LIG 1 9.253 -2.867 -0.103 0.00 0.00 +0.000 A ATOM 26 C LIG 1 8.393 -3.571 0.736 0.00 0.00 +0.000 A ATOM 27 C LIG 1 7.816 -2.930 1.827 0.00 0.00 +0.000 A ATOM 28 C LIG 1 8.104 -1.588 2.081 0.00 0.00 +0.004 A ENDBRANCH 14 23 BRANCH 19 29 ATOM 29 O LIG 1 11.241 3.248 -3.949 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 10.647 3.729 -4.548 0.00 0.00 +0.292 HD ENDBRANCH 19 29 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 31 ATOM 31 C LIG 1 -1.280 -0.689 1.141 0.00 0.00 +0.088 C BRANCH 31 42 ATOM 32 N LIG 1 -10.165 0.157 0.204 0.00 0.00 -0.281 N ATOM 33 C LIG 1 -10.026 -0.616 -0.934 0.00 0.00 +0.248 C ATOM 34 O LIG 1 -10.894 -1.147 -1.597 0.00 0.00 -0.270 OA ATOM 35 C LIG 1 -8.594 -0.662 -1.246 0.00 0.00 +0.045 A ATOM 36 C LIG 1 -7.943 -1.339 -2.256 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -6.554 -1.193 -2.335 0.00 0.00 +0.027 A ATOM 38 C LIG 1 -5.831 -0.395 -1.415 0.00 0.00 +0.073 A ATOM 39 N LIG 1 -4.448 -0.222 -1.560 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -3.880 0.848 -0.706 0.00 0.00 +0.125 C ATOM 41 C LIG 1 -2.337 0.730 -0.592 0.00 0.00 +0.110 C ATOM 42 N LIG 1 -1.778 -0.591 -0.233 0.00 0.00 -0.299 NA ATOM 43 C LIG 1 -2.701 -1.692 -0.574 0.00 0.00 +0.103 C ATOM 44 C LIG 1 -4.559 0.840 0.667 0.00 0.00 +0.252 C ATOM 45 O LIG 1 -5.970 1.079 0.554 0.00 0.00 -0.488 OA ATOM 46 C LIG 1 -3.596 -1.401 -1.800 0.00 0.00 +0.121 C ATOM 47 C LIG 1 -6.553 0.277 -0.397 0.00 0.00 +0.147 A ATOM 48 C LIG 1 -7.927 0.142 -0.331 0.00 0.00 +0.025 A ATOM 49 C LIG 1 -8.901 0.762 0.609 0.00 0.00 +0.148 C BRANCH 32 56 ATOM 50 O LIG 1 -15.042 -0.324 -1.075 0.00 0.00 -0.275 OA ATOM 51 C LIG 1 -13.968 -0.095 -0.523 0.00 0.00 +0.219 C ATOM 52 N LIG 1 -13.357 1.123 -0.670 0.00 0.00 -0.255 N ATOM 53 H LIG 1 -13.813 1.761 -1.307 0.00 0.00 +0.158 HD ATOM 54 C LIG 1 -12.154 1.543 -0.163 0.00 0.00 +0.240 C ATOM 55 O LIG 1 -11.674 2.624 -0.505 0.00 0.00 -0.273 OA ATOM 56 C LIG 1 -11.428 0.592 0.789 0.00 0.00 +0.163 C ATOM 57 C LIG 1 -12.319 -0.521 1.335 0.00 0.00 +0.041 C ATOM 58 C LIG 1 -13.262 -1.131 0.314 0.00 0.00 +0.098 C ENDBRANCH 32 56 ENDBRANCH 31 42 ENDBRANCH 1 31 TORSDOF 7