REMARK Name = BDB057803 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.071 -0.394 1.021 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -1.746 -0.402 0.566 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -0.731 0.270 1.266 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.112 0.948 2.438 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.434 0.940 2.906 0.00 0.00 +0.003 A ATOM 6 C LIG 1 -3.419 0.260 2.200 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 -4.023 -2.352 0.208 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -4.090 -1.127 0.247 0.00 0.00 +0.247 C ATOM 9 N LIG 1 -5.054 -0.388 -0.410 0.00 0.00 -0.298 N ATOM 10 C LIG 1 -6.050 -1.039 -1.242 0.00 0.00 +0.108 C ATOM 11 C LIG 1 -6.563 0.063 -2.158 0.00 0.00 +0.020 C ATOM 12 C LIG 1 -6.403 1.316 -1.307 0.00 0.00 +0.020 C ATOM 13 C LIG 1 -5.099 1.059 -0.565 0.00 0.00 +0.108 C ENDBRANCH 1 8 BRANCH 3 14 ATOM 14 N LIG 1 0.586 0.262 0.781 0.00 0.00 -0.330 N ATOM 15 C LIG 1 1.085 -1.067 0.377 0.00 0.00 +0.106 C ATOM 16 C LIG 1 2.612 -1.118 0.306 0.00 0.00 +0.038 C ATOM 17 C LIG 1 3.139 0.138 -0.395 0.00 0.00 +0.060 C ATOM 18 C LIG 1 2.745 1.400 0.397 0.00 0.00 +0.038 C ATOM 19 C LIG 1 1.570 1.183 1.353 0.00 0.00 +0.106 C BRANCH 17 20 ATOM 20 N LIG 1 4.577 0.167 -0.708 0.00 0.00 -0.299 NA ATOM 21 C LIG 1 5.488 -0.208 0.371 0.00 0.00 +0.085 C ATOM 22 C LIG 1 6.824 -0.276 -0.351 0.00 0.00 +0.017 C ATOM 23 C LIG 1 6.478 -0.699 -1.775 0.00 0.00 +0.017 C ATOM 24 C LIG 1 4.957 -0.673 -1.843 0.00 0.00 +0.085 C ENDBRANCH 17 20 ENDBRANCH 3 14 TORSDOF 3