REMARK Name = BDB035723 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.072 0.524 0.442 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.234 0.983 1.070 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.411 1.863 1.892 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.346 0.172 0.559 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.690 0.253 0.876 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.567 -0.641 0.248 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.059 -1.577 -0.685 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.688 -1.647 -0.997 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.842 -0.749 -0.351 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.362 -0.575 -0.471 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.661 0.920 0.109 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.334 0.455 -0.053 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.245 1.028 0.626 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.512 2.102 1.480 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.813 2.584 1.649 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.880 2.000 0.971 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.773 0.198 -0.656 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -4.857 -1.030 2.317 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.011 -1.722 1.065 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.979 -1.227 -0.217 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -5.135 -2.242 -1.050 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -5.282 -3.392 -0.319 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.205 -3.067 0.948 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.071 1.012 -0.780 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -7.200 0.980 0.298 0.00 0.00 +0.008 C ATOM 26 C LIG 1 -8.213 1.147 -0.863 0.00 0.00 -0.013 C ATOM 27 C LIG 1 -9.534 0.420 -0.720 0.00 0.00 +0.007 C ATOM 28 C LIG 1 -7.151 0.481 -1.774 0.00 0.00 +0.008 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.151 -2.641 -1.991 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.098 -3.463 -2.517 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.545 -2.034 -3.048 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.208 -3.454 -1.440 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 6.052 -0.591 0.538 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.770 -0.023 -0.604 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 6.314 0.853 -0.863 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 8.214 0.110 -0.344 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.480 1.315 0.603 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.556 1.785 -0.398 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.806 0.990 -1.488 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.945 -1.197 -0.098 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8