REMARK Name = BDB063422 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.824 -0.144 -0.997 0.00 0.00 -0.284 N ATOM 2 H LIG 1 0.579 0.521 -1.715 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 -3.875 -2.954 0.218 0.00 0.00 +0.049 C ATOM 4 C LIG 1 -2.642 -2.175 -0.111 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -2.591 -1.142 -1.041 0.00 0.00 +0.133 A ATOM 6 N LIG 1 -1.426 -0.511 -1.317 0.00 0.00 -0.199 NA ATOM 7 C LIG 1 -0.317 -0.863 -0.649 0.00 0.00 +0.221 A ATOM 8 N LIG 1 -0.297 -1.817 0.286 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 -1.454 -2.452 0.531 0.00 0.00 +0.121 A BRANCH 5 10 ATOM 10 N LIG 1 -3.779 -0.746 -1.724 0.00 0.00 -0.288 N ATOM 11 C LIG 1 -3.488 0.060 -2.921 0.00 0.00 +0.137 C BRANCH 10 12 ATOM 12 C LIG 1 -4.925 -0.199 -1.048 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -6.206 -0.441 -1.612 0.00 0.00 +0.053 A ATOM 14 C LIG 1 -7.275 0.115 -0.892 0.00 0.00 +0.095 A ATOM 15 C LIG 1 -7.047 0.865 0.317 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -8.273 1.275 0.780 0.00 0.00 +0.044 A ATOM 17 N LIG 1 -9.163 0.760 -0.134 0.00 0.00 -0.270 N ATOM 18 C LIG 1 -10.602 0.898 -0.113 0.00 0.00 +0.172 C ATOM 19 C LIG 1 -8.693 2.072 1.959 0.00 0.00 +0.066 C ATOM 20 C LIG 1 -5.817 1.132 0.908 0.00 0.00 +0.013 A ATOM 21 N LIG 1 -8.593 0.071 -1.143 0.00 0.00 -0.171 NA ATOM 22 C LIG 1 -4.759 0.562 0.166 0.00 0.00 +0.024 A ENDBRANCH 10 12 ENDBRANCH 5 10 ENDBRANCH 1 7 BRANCH 1 23 ATOM 23 C LIG 1 2.161 -0.182 -0.593 0.00 0.00 +0.034 A ATOM 24 C LIG 1 3.058 0.737 -1.155 0.00 0.00 +0.024 A ATOM 25 C LIG 1 4.410 0.756 -0.786 0.00 0.00 +0.013 A ATOM 26 C LIG 1 4.911 -0.141 0.163 0.00 0.00 +0.017 A ATOM 27 C LIG 1 4.021 -1.063 0.725 0.00 0.00 +0.013 A ATOM 28 C LIG 1 2.667 -1.077 0.351 0.00 0.00 +0.024 A BRANCH 26 29 ATOM 29 C LIG 1 6.332 -0.087 0.525 0.00 0.00 +0.139 A ATOM 30 N LIG 1 6.891 -0.759 1.588 0.00 0.00 -0.338 N ATOM 31 H LIG 1 6.393 -1.350 2.235 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 8.232 -0.480 1.642 0.00 0.00 +0.067 A ATOM 33 C LIG 1 8.450 0.385 0.575 0.00 0.00 +0.102 A ATOM 34 C LIG 1 9.752 0.871 0.345 0.00 0.00 +0.064 A ATOM 35 C LIG 1 10.783 0.459 1.210 0.00 0.00 +0.015 A ATOM 36 C LIG 1 10.527 -0.410 2.274 0.00 0.00 +0.003 A ATOM 37 C LIG 1 9.240 -0.901 2.514 0.00 0.00 +0.028 A ATOM 38 N LIG 1 7.263 0.617 -0.097 0.00 0.00 -0.227 NA BRANCH 34 39 ATOM 39 C LIG 1 10.066 1.793 -0.772 0.00 0.00 +0.244 C ATOM 40 O LIG 1 11.202 2.212 -0.958 0.00 0.00 -0.270 OA ATOM 41 N LIG 1 9.038 2.158 -1.592 0.00 0.00 -0.325 N ATOM 42 H LIG 1 9.223 2.777 -2.367 0.00 0.00 +0.145 HD ATOM 43 H LIG 1 8.096 1.802 -1.443 0.00 0.00 +0.145 HD ENDBRANCH 34 39 ENDBRANCH 26 29 ENDBRANCH 1 23 TORSDOF 6