REMARK Name = BDB057516 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 3.090 -0.662 -2.573 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 3.489 -1.040 -4.010 0.00 0.00 +0.326 C ATOM 3 O LIG 1 4.294 -0.440 -4.710 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 2.811 -2.121 -4.485 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 2.192 -2.527 -3.847 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 4.247 -0.200 -1.767 0.00 0.00 -0.331 N ATOM 7 H LIG 1 3.955 0.527 -1.100 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 5.016 -1.155 -1.066 0.00 0.00 +0.039 A ATOM 9 C LIG 1 5.609 -0.829 0.178 0.00 0.00 +0.043 A ATOM 10 C LIG 1 6.402 -1.758 0.872 0.00 0.00 +0.013 A ATOM 11 C LIG 1 6.668 -3.003 0.312 0.00 0.00 +0.001 A ATOM 12 C LIG 1 6.149 -3.318 -0.940 0.00 0.00 +0.002 A ATOM 13 C LIG 1 5.342 -2.401 -1.623 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 5.341 0.493 0.804 0.00 0.00 +0.195 C ATOM 15 O LIG 1 4.197 0.947 0.773 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 6.425 1.277 1.449 0.00 0.00 +0.022 A ATOM 17 C LIG 1 6.097 2.115 2.522 0.00 0.00 +0.012 A ATOM 18 C LIG 1 7.088 2.876 3.144 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.405 2.810 2.689 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.732 1.991 1.608 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.744 1.227 0.983 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 2.031 0.459 -2.680 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 -1.571 -0.580 -0.511 0.00 0.00 +0.121 A ATOM 24 C LIG 1 -1.567 -0.571 -1.905 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -0.405 -0.228 -2.606 0.00 0.00 +0.007 A ATOM 26 C LIG 1 0.769 0.110 -1.921 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.761 0.102 -0.521 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -0.400 -0.243 0.173 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 -2.627 -0.887 0.300 0.00 0.00 -0.490 OA BRANCH 29 30 ATOM 30 C LIG 1 -3.903 -1.160 -0.289 0.00 0.00 +0.248 C BRANCH 30 31 ATOM 31 C LIG 1 -4.673 0.124 -0.647 0.00 0.00 +0.146 C BRANCH 31 32 ATOM 32 N LIG 1 -5.262 0.773 0.540 0.00 0.00 -0.327 N BRANCH 32 33 ATOM 33 C LIG 1 -6.514 0.421 1.035 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -7.253 -0.662 0.518 0.00 0.00 +0.026 A ATOM 35 C LIG 1 -8.528 -1.020 0.999 0.00 0.00 -0.049 A ATOM 36 C LIG 1 -9.252 -2.203 0.426 0.00 0.00 +0.044 C ATOM 37 C LIG 1 -9.086 -0.298 2.050 0.00 0.00 +0.003 A ATOM 38 C LIG 1 -8.391 0.775 2.589 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -7.131 1.125 2.084 0.00 0.00 +0.023 A ENDBRANCH 32 33 BRANCH 32 41 ATOM 40 C LIG 1 -4.724 3.176 0.650 0.00 0.00 +0.024 C ATOM 41 C LIG 1 -4.420 1.786 1.193 0.00 0.00 +0.102 C ENDBRANCH 32 41 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 14