REMARK Name = BDB024861 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.084 -1.743 1.570 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.287 -0.642 1.932 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.927 0.601 2.433 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.544 0.387 3.827 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.997 1.820 2.531 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.035 1.858 1.366 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.224 0.597 1.414 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.837 0.597 1.156 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.007 1.655 0.871 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.201 1.146 0.732 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.176 -0.225 0.890 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.123 -0.593 1.175 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.730 -1.822 1.432 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.109 -1.814 1.684 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.869 -0.634 1.679 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.688 -2.817 1.130 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -8.277 -2.566 1.340 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -7.420 -1.486 1.717 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.310 -1.135 0.839 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 1.448 -1.813 -0.511 0.00 0.00 +0.233 C ATOM 21 N LIG 1 2.711 -1.758 -1.063 0.00 0.00 -0.307 N ATOM 22 H LIG 1 3.345 -1.014 -0.761 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 0.520 -2.398 -1.064 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 2.941 -2.312 -2.380 0.00 0.00 +0.181 C BRANCH 24 25 ATOM 25 C LIG 1 4.393 -2.398 -2.632 0.00 0.00 +0.154 A ATOM 26 O LIG 1 4.984 -3.599 -2.389 0.00 0.00 -0.358 OA ATOM 27 N LIG 1 6.335 -3.515 -2.680 0.00 0.00 -0.083 NA ATOM 28 C LIG 1 6.541 -2.259 -3.095 0.00 0.00 +0.081 A ATOM 29 C LIG 1 7.896 -1.823 -3.495 0.00 0.00 +0.069 C ATOM 30 C LIG 1 5.342 -1.513 -3.086 0.00 0.00 +0.072 A ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 1.421 1.955 0.452 0.00 0.00 +0.096 C BRANCH 31 32 ATOM 32 C LIG 1 1.724 2.010 -1.046 0.00 0.00 +0.132 C BRANCH 32 33 ATOM 33 N LIG 1 3.050 2.571 -1.308 0.00 0.00 -0.315 N ATOM 34 C LIG 1 4.165 1.764 -1.079 0.00 0.00 +0.251 A ATOM 35 O LIG 1 4.104 0.598 -0.690 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 5.491 2.389 -1.332 0.00 0.00 +0.070 A ATOM 37 C LIG 1 5.564 3.660 -1.745 0.00 0.00 +0.007 A ATOM 38 C LIG 1 4.367 4.439 -1.937 0.00 0.00 +0.018 A ATOM 39 C LIG 1 3.167 3.889 -1.716 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8