REMARK Name = BDB037719 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.148 -0.122 1.091 0.00 0.00 +0.153 A ATOM 2 C LIG 1 -0.864 0.373 0.745 0.00 0.00 +0.035 A ATOM 3 C LIG 1 0.464 -0.298 0.682 0.00 0.00 +0.084 C ATOM 4 C LIG 1 1.564 0.771 0.496 0.00 0.00 +0.172 C ATOM 5 C LIG 1 1.161 1.865 -0.528 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -0.131 2.418 -0.408 0.00 0.00 -0.254 N ATOM 7 O LIG 1 1.978 2.263 -1.368 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.066 1.668 0.319 0.00 0.00 +0.136 A ATOM 9 N LIG 1 -2.366 1.981 0.696 0.00 0.00 -0.217 N ATOM 10 N LIG 1 -3.075 0.843 0.945 0.00 0.00 -0.160 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 0.380 -1.355 -0.416 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.713 -2.684 -0.087 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.667 -3.696 -1.047 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.289 -3.389 -2.346 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.242 -4.359 -3.268 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.041 -2.088 -2.701 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.009 -1.073 -1.743 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -2.957 3.240 0.992 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.355 3.357 1.015 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.951 4.578 1.336 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.158 5.679 1.656 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -2.769 5.561 1.666 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.166 4.343 1.343 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 2.871 0.226 0.122 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.147 0.355 -0.844 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.602 -0.556 0.981 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.219 -0.833 2.112 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.889 -1.099 0.465 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.623 -0.460 -0.544 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.834 -1.010 -1.002 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.301 -2.204 -0.431 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.580 -2.833 0.584 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.381 -2.280 1.034 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.611 -0.311 -2.092 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.950 0.963 -1.752 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.776 -0.935 -2.419 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.902 -0.213 -3.250 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 1 39 ATOM 38 N LIG 1 -3.625 -2.123 1.046 0.00 0.00 -0.283 N ATOM 39 C LIG 1 -2.461 -1.500 1.521 0.00 0.00 +0.268 C ATOM 40 O LIG 1 -1.675 -2.099 2.258 0.00 0.00 -0.268 OA BRANCH 38 42 ATOM 41 C LIG 1 -4.757 -3.546 2.711 0.00 0.00 +0.024 C ATOM 42 C LIG 1 -3.891 -3.497 1.462 0.00 0.00 +0.106 C ENDBRANCH 38 42 BRANCH 38 43 ATOM 43 C LIG 1 -4.625 -1.475 0.187 0.00 0.00 +0.227 C BRANCH 43 44 ATOM 44 C LIG 1 -4.137 -1.219 -1.182 0.00 0.00 +0.082 C ATOM 45 N LIG 1 -3.762 -1.015 -2.263 0.00 0.00 -0.195 NA ENDBRANCH 43 44 ENDBRANCH 38 43 ENDBRANCH 1 39 BRANCH 6 46 ATOM 46 C LIG 1 -0.503 3.442 -1.394 0.00 0.00 +0.112 C ATOM 47 C LIG 1 -0.925 2.835 -2.727 0.00 0.00 +0.025 C ENDBRANCH 6 46 TORSDOF 10