REMARK Name = BDB042105 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.182 0.544 -2.145 0.00 0.00 +0.120 C ENDROOT BRANCH 1 7 ATOM 2 N LIG 1 4.766 0.361 0.620 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.996 1.728 0.618 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.890 2.335 1.175 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.939 2.335 -0.197 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.147 1.312 -0.723 0.00 0.00 -0.014 A ATOM 7 C LIG 1 2.063 1.612 -1.540 0.00 0.00 -0.028 A ATOM 8 C LIG 1 1.808 2.975 -1.797 0.00 0.00 +0.005 A ATOM 9 C LIG 1 2.619 3.992 -1.258 0.00 0.00 +0.001 A ATOM 10 C LIG 1 3.705 3.674 -0.446 0.00 0.00 +0.013 A ATOM 11 C LIG 1 3.676 -0.011 -0.271 0.00 0.00 +0.145 C BRANCH 2 18 ATOM 12 O LIG 1 7.625 -4.243 1.402 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 7.133 -3.119 1.389 0.00 0.00 +0.219 C ATOM 14 N LIG 1 7.428 -2.227 0.390 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.001 -2.607 -0.353 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.646 -1.157 0.019 0.00 0.00 +0.240 C ATOM 17 O LIG 1 6.684 -0.731 -1.133 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.748 -0.587 1.131 0.00 0.00 +0.163 C ATOM 19 C LIG 1 5.103 -1.745 1.887 0.00 0.00 +0.041 C ATOM 20 C LIG 1 6.190 -2.637 2.467 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 7 BRANCH 1 21 ATOM 21 N LIG 1 -0.210 0.616 -1.679 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 -1.091 -0.172 -2.557 0.00 0.00 +0.086 C ATOM 23 C LIG 1 -2.390 -0.629 -1.883 0.00 0.00 +0.038 C ATOM 24 C LIG 1 -2.862 0.403 -0.848 0.00 0.00 +0.081 C ATOM 25 C LIG 1 -1.766 0.633 0.212 0.00 0.00 +0.038 C ATOM 26 C LIG 1 -0.370 0.234 -0.277 0.00 0.00 +0.086 C BRANCH 24 27 ATOM 27 N LIG 1 -4.190 0.092 -0.229 0.00 0.00 -0.297 N BRANCH 27 28 ATOM 28 C LIG 1 -4.966 1.146 0.327 0.00 0.00 +0.034 A ATOM 29 C LIG 1 -4.601 2.502 0.269 0.00 0.00 +0.023 A ATOM 30 C LIG 1 -5.401 3.511 0.824 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -6.601 3.193 1.447 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.002 1.866 1.512 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -6.197 0.864 0.957 0.00 0.00 +0.023 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -4.408 -1.272 0.088 0.00 0.00 +0.034 A ATOM 35 C LIG 1 -4.072 -1.794 1.345 0.00 0.00 +0.023 A ATOM 36 C LIG 1 -4.304 -3.138 1.645 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -4.889 -3.974 0.696 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.250 -3.465 -0.550 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -5.017 -2.121 -0.848 0.00 0.00 +0.023 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6