REMARK Name = BDB024934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.099 0.436 -0.858 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.138 -0.565 -0.618 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.696 -1.925 -0.489 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.448 -2.085 0.843 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.655 -3.025 -0.677 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.503 -2.819 0.282 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.929 -1.444 0.092 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.562 -1.217 0.378 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.630 -2.097 0.863 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -0.508 -1.434 0.951 0.00 0.00 +0.118 A ATOM 11 N LIG 1 -0.334 -0.121 0.541 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.987 0.024 0.154 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.722 1.080 -0.381 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.082 0.854 -0.643 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.726 -0.365 -0.373 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.245 0.190 -1.232 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.343 0.934 0.523 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.007 2.099 1.466 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.176 3.082 1.574 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.931 3.297 0.252 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.091 2.884 -0.960 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.697 1.407 -0.900 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.377 4.738 0.134 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.955 5.580 -0.640 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.350 5.042 1.015 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.545 5.987 0.836 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.701 2.704 -0.756 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.698 1.705 -0.569 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.792 -2.080 1.437 0.00 0.00 +0.082 C ATOM 30 C LIG 1 -2.104 -1.624 2.869 0.00 0.00 +0.020 C BRANCH 29 31 ATOM 31 C LIG 1 -2.936 -2.005 0.428 0.00 0.00 -0.034 A ATOM 32 C LIG 1 -2.722 -2.469 -0.881 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -3.741 -2.415 -1.831 0.00 0.00 +0.165 A ATOM 34 F LIG 1 -3.483 -2.858 -3.071 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -5.005 -1.915 -1.514 0.00 0.00 +0.155 A ATOM 36 C LIG 1 -5.235 -1.468 -0.213 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -4.213 -1.517 0.748 0.00 0.00 +0.008 A BRANCH 35 38 ATOM 38 O LIG 1 -5.918 -1.910 -2.533 0.00 0.00 -0.492 OA ATOM 39 C LIG 1 -7.230 -1.454 -2.230 0.00 0.00 +0.277 C ENDBRANCH 35 38 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7