REMARK Name = BDB052956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.508 -0.733 1.323 0.00 0.00 +0.084 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 3.407 0.954 1.194 0.00 0.00 +0.095 C ATOM 3 C LIG 1 2.362 1.475 0.204 0.00 0.00 +0.040 C ATOM 4 C LIG 1 0.945 1.132 0.672 0.00 0.00 +0.086 C ATOM 5 N LIG 1 0.842 -0.165 1.349 0.00 0.00 -0.302 NA ATOM 6 C LIG 1 1.904 -1.099 0.996 0.00 0.00 +0.086 C ATOM 7 C LIG 1 3.255 -0.552 1.464 0.00 0.00 +0.040 C BRANCH 2 10 ATOM 8 O LIG 1 5.250 2.849 2.593 0.00 0.00 -0.247 OA ATOM 9 C LIG 1 5.542 2.264 1.564 0.00 0.00 +0.328 A ATOM 10 N LIG 1 4.760 1.340 0.832 0.00 0.00 -0.289 N ATOM 11 C LIG 1 5.490 0.943 -0.303 0.00 0.00 +0.070 A ATOM 12 C LIG 1 6.720 1.603 -0.264 0.00 0.00 +0.067 A ATOM 13 C LIG 1 7.686 1.442 -1.231 0.00 0.00 +0.028 A ATOM 14 C LIG 1 7.386 0.573 -2.283 0.00 0.00 +0.002 A ATOM 15 C LIG 1 6.148 -0.099 -2.335 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.182 0.083 -1.336 0.00 0.00 +0.028 A ATOM 17 N LIG 1 6.753 2.401 0.872 0.00 0.00 -0.306 N ATOM 18 H LIG 1 7.499 3.006 1.173 0.00 0.00 +0.170 HD ENDBRANCH 2 10 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -0.952 -1.332 -0.021 0.00 0.00 +0.016 C BRANCH 19 20 ATOM 20 C LIG 1 -2.378 -1.910 0.005 0.00 0.00 +0.014 C BRANCH 20 21 ATOM 21 C LIG 1 -3.511 -0.881 0.256 0.00 0.00 +0.049 C BRANCH 21 22 ATOM 22 C LIG 1 -4.899 -1.502 0.449 0.00 0.00 -0.040 A ATOM 23 C LIG 1 -5.261 -2.751 -0.084 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -6.547 -3.263 0.112 0.00 0.00 +0.038 A ATOM 25 C LIG 1 -7.478 -2.530 0.835 0.00 0.00 +0.123 A ATOM 26 F LIG 1 -8.709 -3.025 1.020 0.00 0.00 -0.205 F ATOM 27 C LIG 1 -7.151 -1.290 1.366 0.00 0.00 +0.038 A ATOM 28 C LIG 1 -5.867 -0.777 1.171 0.00 0.00 +0.007 A ENDBRANCH 21 22 BRANCH 21 29 ATOM 29 C LIG 1 -3.530 0.212 -0.810 0.00 0.00 -0.040 A ATOM 30 C LIG 1 -3.830 -0.081 -2.153 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -3.832 0.930 -3.115 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -3.536 2.234 -2.741 0.00 0.00 +0.123 A ATOM 33 F LIG 1 -3.536 3.203 -3.667 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -3.239 2.549 -1.422 0.00 0.00 +0.038 A ATOM 35 C LIG 1 -3.237 1.541 -0.457 0.00 0.00 +0.007 A ENDBRANCH 21 29 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7