REMARK Name = BDB036156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.624 2.031 1.612 0.00 0.00 +0.280 A ATOM 2 C LIG 1 -2.521 2.430 0.856 0.00 0.00 +0.187 A ATOM 3 N LIG 1 -2.503 3.657 0.279 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 -3.583 4.426 0.490 0.00 0.00 +0.247 A ATOM 5 N LIG 1 -4.659 4.083 1.224 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 -4.681 2.860 1.798 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.401 1.605 0.629 0.00 0.00 -0.310 N ATOM 8 C LIG 1 -0.096 2.093 0.284 0.00 0.00 +0.115 C ATOM 9 C LIG 1 0.449 0.695 0.676 0.00 0.00 +0.004 C ATOM 10 C LIG 1 0.597 -0.248 -0.535 0.00 0.00 +0.025 C ATOM 11 C LIG 1 1.655 -1.309 -0.240 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.990 -0.736 0.013 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 2.939 0.564 0.708 0.00 0.00 +0.085 C ATOM 14 C LIG 1 1.690 0.709 1.574 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -0.876 0.569 1.470 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 3.798 -0.665 -1.217 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 5.290 -0.349 -0.962 0.00 0.00 +0.006 C ATOM 18 C LIG 1 6.008 -1.398 -0.067 0.00 0.00 -0.006 C ATOM 19 C LIG 1 7.397 -0.837 0.312 0.00 0.00 +0.015 C ATOM 20 C LIG 1 8.220 -0.514 -0.957 0.00 0.00 +0.018 C ATOM 21 C LIG 1 7.405 -0.962 -2.219 0.00 0.00 -0.001 C ATOM 22 C LIG 1 7.037 -2.461 -2.111 0.00 0.00 +0.004 C ATOM 23 C LIG 1 9.618 -1.142 -0.928 0.00 0.00 +0.131 C ATOM 24 C LIG 1 10.418 -0.196 -1.777 0.00 0.00 +0.308 C ATOM 25 O LIG 1 11.491 -0.445 -2.300 0.00 0.00 -0.251 OA ATOM 26 O LIG 1 9.781 1.009 -1.855 0.00 0.00 -0.464 OA ATOM 27 C LIG 1 8.627 0.960 -1.014 0.00 0.00 +0.239 C ATOM 28 C LIG 1 6.227 -2.716 -0.833 0.00 0.00 +0.004 C ATOM 29 C LIG 1 6.056 -0.210 -2.297 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 -3.641 0.765 2.183 0.00 0.00 -0.434 OA BRANCH 30 32 ATOM 31 C LIG 1 -5.736 -0.407 2.364 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -4.761 0.439 2.909 0.00 0.00 +0.143 A ATOM 33 C LIG 1 -4.904 0.920 4.216 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -6.040 0.580 4.955 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -7.010 -0.249 4.393 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -8.095 -0.567 5.113 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -6.867 -0.759 3.106 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -6.286 -0.532 -0.064 0.00 0.00 -0.292 N ATOM 39 C LIG 1 -5.545 -1.012 1.036 0.00 0.00 +0.251 C ATOM 40 O LIG 1 -4.766 -1.962 0.983 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 -4.896 -0.902 -2.120 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -6.133 -1.318 -1.313 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -7.367 -1.405 -2.209 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 -6.995 0.777 -0.018 0.00 0.00 +0.070 C ATOM 45 C LIG 1 -6.543 1.778 -1.083 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -8.517 0.626 0.017 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8