REMARK Name = BDB028071 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.737 0.683 -0.711 0.00 0.00 +0.056 A ATOM 2 N LIG 1 -3.230 0.003 -1.788 0.00 0.00 -0.255 NA ATOM 3 C LIG 1 -1.902 -0.282 -1.854 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -1.081 0.113 -0.822 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.380 -0.076 -0.632 0.00 0.00 +0.151 C ATOM 6 N LIG 1 0.644 0.561 0.651 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.532 1.088 1.201 0.00 0.00 +0.252 C ATOM 8 O LIG 1 -0.736 1.685 2.242 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.615 0.796 0.257 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -2.951 1.102 0.351 0.00 0.00 +0.038 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.946 0.613 1.223 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.043 0.017 0.569 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.361 0.025 1.089 0.00 0.00 -0.035 A ATOM 14 C LIG 1 4.539 0.690 2.312 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.475 1.294 2.979 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.189 1.250 2.440 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.581 -0.685 0.324 0.00 0.00 +0.049 C ATOM 18 C LIG 1 5.285 -2.067 -0.333 0.00 0.00 +0.174 C ATOM 19 O LIG 1 6.563 -2.580 0.137 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 6.567 -1.549 1.165 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 6.252 0.265 -0.689 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 7.201 1.232 -0.066 0.00 0.00 +0.134 A ATOM 23 N LIG 1 8.565 1.215 -0.222 0.00 0.00 -0.320 N ATOM 24 C LIG 1 9.353 0.295 -0.999 0.00 0.00 +0.151 C ATOM 25 C LIG 1 9.046 2.253 0.513 0.00 0.00 +0.224 A ATOM 26 N LIG 1 8.048 2.879 1.089 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 6.888 2.244 0.717 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -1.380 -1.041 -3.048 0.00 0.00 +0.038 C ATOM 29 C LIG 1 -1.875 -0.700 -4.435 0.00 0.00 +0.010 C ATOM 30 C LIG 1 -0.469 -0.358 -4.044 0.00 0.00 +0.010 C ENDBRANCH 3 28 BRANCH 1 31 ATOM 31 C LIG 1 -5.233 0.952 -0.700 0.00 0.00 +0.139 C BRANCH 31 35 ATOM 32 C LIG 1 -9.508 0.262 1.679 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -7.987 0.114 1.744 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -7.348 0.671 0.456 0.00 0.00 +0.088 C ATOM 35 N LIG 1 -5.960 0.219 0.355 0.00 0.00 -0.296 NA ATOM 36 C LIG 1 -5.884 -1.240 0.145 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -7.058 -2.019 0.756 0.00 0.00 +0.016 C ATOM 38 C LIG 1 -7.579 -1.346 2.019 0.00 0.00 +0.006 C ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 7