REMARK Name = BDB004765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.546 -0.670 3.497 0.00 0.00 +0.033 C ATOM 2 C LIG 1 -0.898 -1.466 2.238 0.00 0.00 +0.099 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 0.364 -2.108 1.666 0.00 0.00 -0.026 A ATOM 4 C LIG 1 1.320 -1.345 0.964 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.472 -1.935 0.439 0.00 0.00 +0.034 A ATOM 6 C LIG 1 2.687 -3.301 0.648 0.00 0.00 +0.023 A ATOM 7 C LIG 1 1.755 -4.069 1.348 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.599 -3.477 1.852 0.00 0.00 +0.005 A BRANCH 5 9 ATOM 9 N LIG 1 3.455 -1.228 -0.284 0.00 0.00 -0.281 N ATOM 10 H LIG 1 4.262 -1.768 -0.569 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 3.371 0.070 -0.755 0.00 0.00 +0.248 C ATOM 12 O LIG 1 2.395 0.809 -0.711 0.00 0.00 -0.270 OA BRANCH 11 13 ATOM 13 C LIG 1 4.603 0.569 -1.428 0.00 0.00 +0.041 A ATOM 14 C LIG 1 4.463 1.404 -2.545 0.00 0.00 +0.061 A ATOM 15 C LIG 1 5.600 1.883 -3.183 0.00 0.00 +0.153 A ATOM 16 C LIG 1 6.867 1.549 -2.713 0.00 0.00 +0.165 A ATOM 17 F LIG 1 7.951 2.023 -3.343 0.00 0.00 -0.202 F ATOM 18 C LIG 1 7.018 0.736 -1.595 0.00 0.00 +0.043 A ATOM 19 C LIG 1 5.883 0.245 -0.945 0.00 0.00 +0.016 A BRANCH 15 20 ATOM 20 O LIG 1 5.447 2.685 -4.278 0.00 0.00 -0.504 OA ATOM 21 H LIG 1 6.340 2.942 -4.575 0.00 0.00 +0.292 HD ENDBRANCH 15 20 ENDBRANCH 11 13 ENDBRANCH 5 9 ENDBRANCH 2 3 BRANCH 2 22 ATOM 22 N LIG 1 -1.489 -0.589 1.224 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -1.330 -0.954 0.288 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -2.854 -0.264 1.347 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -3.432 0.630 0.420 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -4.806 0.898 0.573 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -5.404 1.779 -0.354 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -4.656 2.378 -1.385 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -3.301 2.121 -1.514 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -5.504 0.325 1.580 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -4.846 -0.485 2.418 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -2.693 1.255 -0.617 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -3.557 -0.808 2.350 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -6.856 2.144 -0.318 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -7.348 2.910 -1.141 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -7.639 1.605 0.658 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -8.616 1.856 0.700 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -7.245 0.981 1.357 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 2 22 TORSDOF 7