REMARK Name = BDB030810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.541 1.063 0.746 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -1.821 0.538 0.498 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -2.521 0.756 -0.713 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -3.892 0.207 -0.942 0.00 0.00 +0.084 A ATOM 5 N LIG 1 -4.555 -0.321 0.167 0.00 0.00 -0.337 N ATOM 6 H LIG 1 -4.195 -0.009 1.061 0.00 0.00 +0.146 HD ATOM 7 C LIG 1 -5.152 -1.645 0.231 0.00 0.00 +0.077 C ATOM 8 C LIG 1 -6.028 -1.958 -0.981 0.00 0.00 +0.063 C ATOM 9 C LIG 1 -6.592 -0.696 -1.612 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -5.690 -0.144 -2.564 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 -4.435 0.301 -2.181 0.00 0.00 +0.207 A ATOM 12 C LIG 1 -3.686 0.980 -3.298 0.00 0.00 +0.295 A ATOM 13 N LIG 1 -2.491 1.615 -2.997 0.00 0.00 -0.308 N ATOM 14 C LIG 1 -1.816 2.341 -4.063 0.00 0.00 +0.152 C ATOM 15 O LIG 1 -4.165 0.979 -4.435 0.00 0.00 -0.264 OA ATOM 16 C LIG 1 -1.879 1.489 -1.722 0.00 0.00 +0.054 A ATOM 17 C LIG 1 -0.620 2.057 -1.463 0.00 0.00 +0.028 A ATOM 18 C LIG 1 0.027 1.860 -0.240 0.00 0.00 +0.025 A ENDROOT BRANCH 7 19 ATOM 19 C LIG 1 -5.960 -1.697 1.506 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -6.176 -3.003 2.231 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -5.283 -1.953 2.831 0.00 0.00 +0.005 C ENDBRANCH 7 19 BRANCH 1 22 ATOM 22 N LIG 1 0.062 0.838 1.999 0.00 0.00 -0.298 N ATOM 23 H LIG 1 -0.429 0.154 2.565 0.00 0.00 +0.154 HD BRANCH 22 26 ATOM 24 C LIG 1 3.678 1.038 1.764 0.00 0.00 +0.220 A ATOM 25 N LIG 1 2.383 1.010 1.408 0.00 0.00 -0.198 NA ATOM 26 C LIG 1 1.437 0.861 2.358 0.00 0.00 +0.147 A ATOM 27 C LIG 1 1.784 0.760 3.698 0.00 0.00 +0.099 A ATOM 28 CL LIG 1 0.634 0.554 4.959 0.00 0.00 -0.078 Cl ATOM 29 C LIG 1 3.127 0.815 3.980 0.00 0.00 +0.137 A ATOM 30 N LIG 1 4.082 0.952 3.041 0.00 0.00 -0.221 NA BRANCH 24 35 ATOM 31 C LIG 1 6.255 -2.072 -1.060 0.00 0.00 +0.105 C ATOM 32 N LIG 1 5.327 -1.556 -0.065 0.00 0.00 -0.302 NA ATOM 33 C LIG 1 4.207 -0.779 -0.653 0.00 0.00 +0.106 C ATOM 34 C LIG 1 4.314 0.779 -0.587 0.00 0.00 +0.091 C ATOM 35 N LIG 1 4.624 1.200 0.782 0.00 0.00 -0.291 N ATOM 36 C LIG 1 5.987 0.717 1.008 0.00 0.00 +0.091 C ATOM 37 C LIG 1 6.684 1.241 -0.262 0.00 0.00 +0.025 C ATOM 38 C LIG 1 5.570 1.282 -1.324 0.00 0.00 +0.025 C ATOM 39 C LIG 1 5.997 -0.846 1.052 0.00 0.00 +0.106 C ENDBRANCH 24 35 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 4