REMARK Name = BDB024850 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.952 -3.799 -0.910 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.131 -2.554 -0.280 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.495 -1.988 -0.133 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.326 -2.789 0.886 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.546 -0.514 0.298 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.449 0.279 -0.373 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.142 -0.324 0.047 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.027 0.476 0.373 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.918 1.847 0.402 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.677 2.108 0.762 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.022 0.940 0.982 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.825 -0.118 0.730 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.655 -1.503 0.769 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -1.765 -2.289 0.434 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.002 -1.732 0.072 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -2.884 -4.360 -1.128 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -5.011 -5.598 -1.997 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.137 -4.345 -1.324 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.396 0.810 1.449 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.362 0.428 0.339 0.00 0.00 +0.236 C ATOM 21 N LIG 1 3.636 0.010 0.730 0.00 0.00 -0.294 N ATOM 22 C LIG 1 4.049 -0.127 2.119 0.00 0.00 +0.132 C ATOM 23 O LIG 1 2.047 0.482 -0.852 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.423 -0.711 -0.275 0.00 0.00 +0.203 C BRANCH 24 25 ATOM 25 C LIG 1 4.059 -2.211 -0.327 0.00 0.00 +0.232 C ATOM 26 N LIG 1 4.612 -2.962 -1.367 0.00 0.00 -0.306 N ATOM 27 C LIG 1 5.258 -2.362 -2.524 0.00 0.00 +0.131 C ATOM 28 C LIG 1 4.148 -4.330 -1.533 0.00 0.00 +0.131 C ATOM 29 O LIG 1 3.348 -2.726 0.541 0.00 0.00 -0.274 OA ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.111 3.479 0.919 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 0.738 3.882 -0.288 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 1.486 5.115 -0.040 0.00 0.00 -0.315 N ATOM 33 C LIG 1 2.647 5.035 0.731 0.00 0.00 +0.251 A ATOM 34 O LIG 1 3.084 4.000 1.231 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 3.369 6.318 0.953 0.00 0.00 +0.070 A ATOM 36 C LIG 1 2.882 7.461 0.452 0.00 0.00 +0.007 A ATOM 37 C LIG 1 1.657 7.464 -0.307 0.00 0.00 +0.018 A ATOM 38 C LIG 1 1.005 6.316 -0.530 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 8