REMARK Name = BDB058447 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.090 -0.018 0.303 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -3.480 -1.285 0.406 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -2.106 -1.401 0.259 0.00 0.00 +0.045 A ATOM 4 N LIG 1 -1.317 -2.551 0.321 0.00 0.00 -0.273 N ATOM 5 C LIG 1 0.032 -2.255 0.119 0.00 0.00 +0.230 C ATOM 6 C LIG 1 0.153 -0.719 -0.090 0.00 0.00 +0.080 C ATOM 7 C LIG 1 0.998 -0.097 1.029 0.00 0.00 +0.040 C ATOM 8 C LIG 1 2.493 -0.348 0.843 0.00 0.00 +0.109 C ATOM 9 N LIG 1 2.910 0.087 -0.501 0.00 0.00 -0.301 N ATOM 10 C LIG 1 2.224 -0.660 -1.565 0.00 0.00 +0.109 C ATOM 11 C LIG 1 0.719 -0.416 -1.484 0.00 0.00 +0.040 C ATOM 12 O LIG 1 0.954 -3.056 0.104 0.00 0.00 -0.274 OA ATOM 13 C LIG 1 -1.834 -3.873 0.558 0.00 0.00 +0.138 C ATOM 14 C LIG 1 -1.298 -0.299 0.019 0.00 0.00 +0.024 A ATOM 15 C LIG 1 -1.872 0.950 -0.072 0.00 0.00 +0.131 A ATOM 16 F LIG 1 -1.115 2.030 -0.302 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -3.253 1.094 0.073 0.00 0.00 +0.062 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 4.245 0.425 -0.671 0.00 0.00 +0.200 A ATOM 19 N LIG 1 4.558 1.095 -1.816 0.00 0.00 -0.295 N ATOM 20 H LIG 1 3.825 1.395 -2.434 0.00 0.00 +0.172 HD ATOM 21 C LIG 1 5.806 1.560 -2.082 0.00 0.00 +0.258 A ATOM 22 O LIG 1 6.045 2.254 -3.065 0.00 0.00 -0.267 OA ATOM 23 C LIG 1 6.842 1.181 -1.108 0.00 0.00 +0.057 A ATOM 24 C LIG 1 8.254 1.585 -1.407 0.00 0.00 +0.045 C ATOM 25 C LIG 1 9.264 0.847 -0.532 0.00 0.00 +0.024 C ATOM 26 C LIG 1 8.772 0.779 0.907 0.00 0.00 +0.106 C ATOM 27 N LIG 1 7.447 0.155 0.941 0.00 0.00 -0.318 N ATOM 28 C LIG 1 7.049 -0.399 2.232 0.00 0.00 +0.130 C ATOM 29 C LIG 1 6.464 0.503 -0.004 0.00 0.00 +0.133 A ATOM 30 N LIG 1 5.151 0.153 0.213 0.00 0.00 -0.200 NA ENDBRANCH 9 18 BRANCH 1 37 ATOM 31 C LIG 1 -8.188 2.661 1.290 0.00 0.00 +0.039 C ATOM 32 C LIG 1 -7.548 1.292 1.101 0.00 0.00 +0.133 C ATOM 33 O LIG 1 -8.282 0.609 0.067 0.00 0.00 -0.371 OA ATOM 34 C LIG 1 -7.754 -0.716 -0.131 0.00 0.00 +0.133 C ATOM 35 C LIG 1 -8.596 -1.390 -1.206 0.00 0.00 +0.039 C ATOM 36 C LIG 1 -6.266 -0.667 -0.545 0.00 0.00 +0.136 C ATOM 37 N LIG 1 -5.482 0.085 0.469 0.00 0.00 -0.325 N ATOM 38 C LIG 1 -6.059 1.427 0.717 0.00 0.00 +0.136 C ENDBRANCH 1 37 TORSDOF 2