REMARK Name = BDB015924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.110 0.100 -0.542 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -2.693 -1.180 -0.602 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.399 -1.450 -0.343 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.503 -0.439 0.009 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.031 0.839 0.040 0.00 0.00 +0.125 A ATOM 6 N LIG 1 -2.315 1.139 -0.236 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -6.399 1.969 -1.066 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -5.048 1.689 -0.798 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -4.532 0.376 -0.830 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -5.431 -0.660 -1.144 0.00 0.00 +0.011 A ATOM 11 C LIG 1 -6.776 -0.400 -1.415 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -7.256 0.908 -1.377 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 -9.314 5.958 -0.542 0.00 0.00 +0.172 C ATOM 14 N LIG 1 -8.187 5.092 -0.787 0.00 0.00 -0.274 N ATOM 15 N LIG 1 -6.998 5.630 -1.109 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 -6.204 4.564 -1.251 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -6.880 3.341 -1.028 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -8.170 3.728 -0.726 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 0.888 -0.672 0.351 0.00 0.00 +0.024 A ATOM 20 C LIG 1 1.946 0.116 -0.057 0.00 0.00 +0.117 A ATOM 21 N LIG 1 3.073 -0.450 0.473 0.00 0.00 -0.268 N ATOM 22 N LIG 1 2.820 -1.554 1.199 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 1.492 -1.682 1.133 0.00 0.00 +0.143 A BRANCH 21 24 ATOM 24 C LIG 1 4.451 0.011 0.333 0.00 0.00 +0.107 C ATOM 25 C LIG 1 4.696 1.320 1.105 0.00 0.00 +0.029 C ATOM 26 C LIG 1 5.686 2.256 0.406 0.00 0.00 +0.028 C ATOM 27 C LIG 1 6.868 1.511 -0.237 0.00 0.00 +0.038 C ATOM 28 N LIG 1 7.839 2.417 -0.850 0.00 0.00 -0.299 N ATOM 29 C LIG 1 7.480 3.494 -1.752 0.00 0.00 +0.132 C ATOM 30 C LIG 1 9.149 1.968 -0.709 0.00 0.00 +0.216 C ATOM 31 O LIG 1 10.144 2.432 -1.242 0.00 0.00 -0.276 OA ATOM 32 C LIG 1 9.132 0.766 0.199 0.00 0.00 +0.098 C ATOM 33 C LIG 1 7.748 0.842 0.839 0.00 0.00 +0.035 C ATOM 34 C LIG 1 6.369 0.458 -1.267 0.00 0.00 +0.028 C ATOM 35 C LIG 1 4.880 0.116 -1.134 0.00 0.00 +0.029 C ENDBRANCH 21 24 ENDBRANCH 4 19 BRANCH 3 36 ATOM 36 N LIG 1 -0.966 -2.786 -0.389 0.00 0.00 -0.328 N ATOM 37 H LIG 1 -0.099 -2.843 -0.919 0.00 0.00 +0.147 HD BRANCH 36 38 ATOM 38 C LIG 1 -1.913 -3.828 -0.775 0.00 0.00 +0.106 C BRANCH 38 39 ATOM 39 C LIG 1 -2.341 -4.693 0.425 0.00 0.00 +0.008 C ATOM 40 C LIG 1 -3.162 -3.931 1.480 0.00 0.00 +0.020 C ATOM 41 C LIG 1 -2.322 -3.553 2.696 0.00 0.00 +0.081 C ATOM 42 N LIG 1 -1.731 -4.709 3.374 0.00 0.00 -0.316 NA ATOM 43 H LIG 1 -2.332 -5.010 4.140 0.00 0.00 +0.122 HD ATOM 44 C LIG 1 -1.466 -5.849 2.495 0.00 0.00 +0.081 C ATOM 45 C LIG 1 -1.147 -5.429 1.063 0.00 0.00 +0.020 C ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 3 36 TORSDOF 7