REMARK Name = BDB036108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.171 1.897 1.119 0.00 0.00 +0.280 A ATOM 2 C LIG 1 -3.318 2.543 0.216 0.00 0.00 +0.187 A ATOM 3 N LIG 1 -3.755 3.608 -0.495 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 -5.017 3.991 -0.254 0.00 0.00 +0.247 A ATOM 5 N LIG 1 -5.851 3.437 0.647 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 -5.414 2.373 1.357 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.979 2.121 0.031 0.00 0.00 -0.310 N ATOM 8 C LIG 1 -0.956 2.363 1.021 0.00 0.00 +0.115 C ATOM 9 C LIG 1 0.069 2.235 -0.135 0.00 0.00 +0.004 C ATOM 10 C LIG 1 1.214 3.246 -0.103 0.00 0.00 +0.025 C ATOM 11 C LIG 1 2.265 2.797 0.914 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.784 1.441 0.672 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 1.682 0.467 0.608 0.00 0.00 +0.085 C ATOM 14 C LIG 1 0.597 0.821 -0.411 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -1.132 2.643 -1.016 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 3.687 1.399 -0.490 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 4.561 0.123 -0.559 0.00 0.00 +0.006 C ATOM 18 C LIG 1 5.403 -0.133 0.720 0.00 0.00 -0.006 C ATOM 19 C LIG 1 6.087 -1.510 0.578 0.00 0.00 +0.011 C ATOM 20 C LIG 1 7.024 -1.527 -0.667 0.00 0.00 -0.019 C ATOM 21 C LIG 1 6.951 -0.140 -1.367 0.00 0.00 -0.004 C ATOM 22 C LIG 1 7.386 0.965 -0.382 0.00 0.00 +0.004 C ATOM 23 C LIG 1 8.473 -1.892 -0.270 0.00 0.00 +0.081 C ATOM 24 C LIG 1 8.456 -3.399 -0.295 0.00 0.00 +0.134 C ATOM 25 O LIG 1 9.341 -4.100 0.180 0.00 0.00 -0.297 OA ATOM 26 C LIG 1 7.231 -3.944 -0.976 0.00 0.00 +0.075 C ATOM 27 C LIG 1 6.652 -2.687 -1.618 0.00 0.00 +0.015 C ATOM 28 C LIG 1 6.505 0.930 0.872 0.00 0.00 +0.004 C ATOM 29 C LIG 1 5.502 0.174 -1.786 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 -3.825 0.814 1.890 0.00 0.00 -0.434 OA BRANCH 30 32 ATOM 31 C LIG 1 -3.891 -0.929 0.121 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -3.360 -0.324 1.269 0.00 0.00 +0.143 A ATOM 33 C LIG 1 -2.289 -0.945 1.931 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -1.696 -2.092 1.403 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -2.177 -2.623 0.214 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -1.593 -3.710 -0.305 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -3.262 -2.052 -0.436 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -6.353 -0.579 -0.179 0.00 0.00 -0.292 N ATOM 39 C LIG 1 -5.036 -0.392 -0.625 0.00 0.00 +0.251 C ATOM 40 O LIG 1 -4.744 0.203 -1.661 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 -6.528 -1.136 2.277 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -6.813 -1.559 0.839 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -6.363 -2.996 0.572 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 -7.392 0.130 -0.967 0.00 0.00 +0.070 C ATOM 45 C LIG 1 -7.997 -0.789 -2.030 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -8.481 0.783 -0.111 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8