REMARK Name = BDB049518 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.434 -1.164 0.644 0.00 0.00 +0.051 C ATOM 2 C LIG 1 -2.139 -1.462 -0.702 0.00 0.00 +0.079 C ATOM 3 C LIG 1 -3.541 -0.853 -0.480 0.00 0.00 +0.104 C ATOM 4 N LIG 1 -3.261 0.394 0.239 0.00 0.00 -0.293 NA ATOM 5 C LIG 1 -2.219 0.035 1.223 0.00 0.00 +0.094 C ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -4.421 1.043 0.874 0.00 0.00 +0.090 C ATOM 7 C LIG 1 -5.552 1.537 -0.001 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -5.906 2.856 0.330 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -6.949 3.523 -0.303 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -7.678 2.848 -1.279 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -7.384 1.512 -1.571 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -5.114 3.358 1.492 0.00 0.00 +0.037 C ATOM 13 C LIG 1 -6.341 0.857 -0.914 0.00 0.00 +0.128 A ATOM 14 F LIG 1 -6.182 -0.453 -1.137 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -3.932 2.396 1.476 0.00 0.00 +0.028 C ENDBRANCH 4 6 BRANCH 1 19 ATOM 16 C LIG 1 2.877 -0.420 0.402 0.00 0.00 +0.030 A ATOM 17 C LIG 1 2.337 -1.451 1.187 0.00 0.00 +0.023 A ATOM 18 C LIG 1 0.957 -1.688 1.265 0.00 0.00 +0.006 A ATOM 19 C LIG 1 0.055 -0.897 0.549 0.00 0.00 -0.041 A ATOM 20 C LIG 1 0.573 0.135 -0.237 0.00 0.00 +0.006 A ATOM 21 C LIG 1 1.954 0.362 -0.309 0.00 0.00 +0.023 A BRANCH 16 27 ATOM 22 C LIG 1 9.219 0.458 -1.018 0.00 0.00 +0.109 C ATOM 23 C LIG 1 8.502 0.459 0.309 0.00 0.00 +0.213 C ATOM 24 N LIG 1 7.124 0.351 0.276 0.00 0.00 -0.299 N ATOM 25 C LIG 1 6.380 0.286 1.536 0.00 0.00 +0.126 C ATOM 26 C LIG 1 5.125 -0.600 1.445 0.00 0.00 +0.124 C ATOM 27 N LIG 1 4.245 -0.204 0.327 0.00 0.00 -0.327 N ATOM 28 C LIG 1 4.837 0.626 -0.733 0.00 0.00 +0.124 C ATOM 29 C LIG 1 6.323 0.284 -0.951 0.00 0.00 +0.126 C ATOM 30 O LIG 1 9.137 0.559 1.359 0.00 0.00 -0.276 OA ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 2 31 ATOM 31 N LIG 1 -2.154 -2.846 -1.225 0.00 0.00 -0.304 NA ATOM 32 C LIG 1 -0.843 -3.249 -1.736 0.00 0.00 +0.104 C ATOM 33 C LIG 1 -2.666 -3.856 -0.304 0.00 0.00 +0.104 C ENDBRANCH 2 31 TORSDOF 4