REMARK Name = BDB024750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.495 -1.065 0.737 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.812 -0.177 -0.113 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.527 0.982 -0.704 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.549 0.528 -1.763 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.624 2.035 -1.366 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.359 2.236 -0.564 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.645 0.917 -0.516 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.244 0.826 -0.650 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.332 1.825 -0.849 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.859 1.254 -0.883 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.743 -0.119 -0.754 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.606 -0.403 -0.572 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.316 -1.587 -0.351 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.707 -1.488 -0.209 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.385 -0.264 -0.281 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.011 -2.028 1.322 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.772 -1.155 -0.759 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.424 -1.358 0.620 0.00 0.00 +0.036 C ATOM 19 C LIG 1 -3.649 -2.297 0.591 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -3.673 -3.183 -0.666 0.00 0.00 +0.011 C ATOM 21 C LIG 1 -3.572 -2.410 -1.989 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.821 -1.079 -1.869 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.935 -1.552 0.760 0.00 0.00 +0.152 A ATOM 24 N LIG 1 -5.426 -1.158 1.975 0.00 0.00 -0.242 N ATOM 25 H LIG 1 -5.028 -1.247 2.902 0.00 0.00 +0.192 HD ATOM 26 N LIG 1 -6.628 -0.590 1.822 0.00 0.00 -0.047 NA ATOM 27 N LIG 1 -6.850 -0.598 0.515 0.00 0.00 -0.023 NA ATOM 28 N LIG 1 -5.808 -1.188 -0.157 0.00 0.00 -0.113 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 30 ATOM 29 C LIG 1 7.543 -1.573 1.780 0.00 0.00 +0.282 C ATOM 30 O LIG 1 6.808 -0.719 0.902 0.00 0.00 -0.453 OA ENDBRANCH 1 30 BRANCH 10 31 ATOM 31 C LIG 1 -2.122 2.050 -1.027 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 -2.867 2.281 0.269 0.00 0.00 -0.040 A ATOM 33 C LIG 1 -4.261 2.137 0.318 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -4.960 2.399 1.498 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.278 2.807 2.642 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.896 2.966 2.605 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.196 2.714 1.424 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 5