REMARK Name = BDB032758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.593 -2.462 2.173 0.00 0.00 +0.269 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.562 -1.324 1.973 0.00 0.00 -0.010 A ATOM 3 C LIG 1 3.630 -1.456 1.073 0.00 0.00 +0.020 A ATOM 4 C LIG 1 4.471 -0.371 0.911 0.00 0.00 +0.042 A ATOM 5 C LIG 1 5.651 -0.240 0.050 0.00 0.00 +0.248 C ATOM 6 N LIG 1 6.101 1.066 0.182 0.00 0.00 -0.282 N ATOM 7 C LIG 1 5.378 1.786 1.223 0.00 0.00 +0.144 C ATOM 8 O LIG 1 6.120 -1.138 -0.622 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 4.299 0.828 1.597 0.00 0.00 -0.018 A ATOM 10 C LIG 1 3.249 0.979 2.483 0.00 0.00 +0.006 A ATOM 11 C LIG 1 2.377 -0.102 2.663 0.00 0.00 +0.007 A BRANCH 6 12 ATOM 12 C LIG 1 7.378 1.552 -0.329 0.00 0.00 +0.163 C ATOM 13 C LIG 1 8.550 1.035 0.520 0.00 0.00 +0.240 C ATOM 14 O LIG 1 8.466 0.804 1.726 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 9.766 0.953 -0.118 0.00 0.00 -0.255 N ATOM 16 H LIG 1 10.543 0.645 0.451 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 10.074 1.337 -1.399 0.00 0.00 +0.219 C ATOM 18 O LIG 1 11.236 1.336 -1.798 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 8.932 1.843 -2.249 0.00 0.00 +0.098 C ATOM 20 C LIG 1 7.607 1.241 -1.808 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 0.620 -2.446 1.122 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 -1.338 -1.879 0.294 0.00 0.00 -0.250 N ATOM 23 H LIG 1 -0.897 -2.344 -0.487 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -0.553 -1.825 1.410 0.00 0.00 +0.405 C ATOM 25 O LIG 1 -0.821 -1.320 2.489 0.00 0.00 -0.226 OA BRANCH 22 29 ATOM 26 C LIG 1 -5.206 -0.439 -0.455 0.00 0.00 +0.122 A ATOM 27 N LIG 1 -4.503 -1.078 -1.415 0.00 0.00 -0.238 NA ATOM 28 C LIG 1 -3.259 -1.523 -1.113 0.00 0.00 +0.136 A ATOM 29 C LIG 1 -2.634 -1.365 0.118 0.00 0.00 +0.055 A ATOM 30 C LIG 1 -3.354 -0.693 1.094 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -4.640 -0.226 0.803 0.00 0.00 +0.045 A BRANCH 26 34 ATOM 32 C LIG 1 -7.810 -1.944 0.063 0.00 0.00 +0.028 C ATOM 33 C LIG 1 -7.563 -0.434 0.175 0.00 0.00 +0.072 C ATOM 34 N LIG 1 -6.498 0.037 -0.738 0.00 0.00 -0.312 N ATOM 35 C LIG 1 -6.826 0.022 -2.172 0.00 0.00 +0.107 C ATOM 36 C LIG 1 -8.089 0.843 -2.429 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -9.250 0.375 -1.561 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -8.847 0.371 -0.089 0.00 0.00 +0.022 C ENDBRANCH 26 34 ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 6