REMARK Name = BDB063430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.619 -0.906 -0.278 0.00 0.00 +0.132 A ATOM 2 C LIG 1 -4.524 0.072 0.185 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -4.019 1.144 0.936 0.00 0.00 +0.017 A ATOM 4 C LIG 1 -2.656 1.248 1.224 0.00 0.00 +0.024 A ATOM 5 C LIG 1 -1.745 0.286 0.773 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -2.249 -0.784 0.023 0.00 0.00 +0.069 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -5.973 0.040 -0.071 0.00 0.00 +0.143 A ATOM 8 N LIG 1 -6.618 -0.971 -0.742 0.00 0.00 -0.338 N ATOM 9 H LIG 1 -6.147 -1.780 -1.124 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -7.957 -0.691 -0.806 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -8.087 0.519 -0.127 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -9.369 1.088 -0.015 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -10.468 0.420 -0.589 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -10.294 -0.792 -1.261 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -9.029 -1.376 -1.383 0.00 0.00 +0.028 A ATOM 16 N LIG 1 -6.852 0.956 0.297 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 -9.565 2.361 0.704 0.00 0.00 +0.244 C ATOM 18 O LIG 1 -9.065 2.601 1.793 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 -10.371 3.279 0.081 0.00 0.00 -0.325 N ATOM 20 H LIG 1 -10.554 3.217 -0.911 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 -10.379 4.199 0.502 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 2 7 BRANCH 1 23 ATOM 22 C LIG 1 -3.237 -2.933 -1.497 0.00 0.00 +0.277 C ATOM 23 O LIG 1 -4.144 -1.947 -1.013 0.00 0.00 -0.494 OA ENDBRANCH 1 23 BRANCH 5 24 ATOM 24 N LIG 1 -0.393 0.447 1.095 0.00 0.00 -0.283 N ATOM 25 H LIG 1 -0.148 1.258 1.645 0.00 0.00 +0.155 HD BRANCH 24 26 ATOM 26 C LIG 1 0.766 -0.279 0.834 0.00 0.00 +0.221 A ATOM 27 N LIG 1 1.887 0.251 1.352 0.00 0.00 -0.199 NA ATOM 28 C LIG 1 3.065 -0.374 1.144 0.00 0.00 +0.130 A ATOM 29 C LIG 1 3.112 -1.561 0.437 0.00 0.00 +0.064 A ATOM 30 C LIG 1 1.924 -2.035 -0.056 0.00 0.00 +0.118 A ATOM 31 N LIG 1 0.749 -1.414 0.125 0.00 0.00 -0.223 NA BRANCH 28 32 ATOM 32 N LIG 1 4.266 0.152 1.698 0.00 0.00 -0.288 N ATOM 33 C LIG 1 4.061 1.414 2.422 0.00 0.00 +0.137 C BRANCH 32 34 ATOM 34 C LIG 1 5.542 0.134 1.049 0.00 0.00 +0.037 A ATOM 35 C LIG 1 5.641 0.349 -0.350 0.00 0.00 +0.053 A ATOM 36 C LIG 1 6.952 0.302 -0.855 0.00 0.00 +0.095 A ATOM 37 C LIG 1 8.075 0.058 0.014 0.00 0.00 +0.023 A ATOM 38 C LIG 1 9.206 0.076 -0.766 0.00 0.00 +0.044 A ATOM 39 N LIG 1 8.730 0.316 -2.034 0.00 0.00 -0.270 N ATOM 40 C LIG 1 9.514 0.433 -3.244 0.00 0.00 +0.172 C ATOM 41 C LIG 1 10.646 -0.105 -0.462 0.00 0.00 +0.066 C ATOM 42 C LIG 1 8.031 -0.154 1.388 0.00 0.00 +0.013 A ATOM 43 N LIG 1 7.391 0.458 -2.112 0.00 0.00 -0.171 NA ATOM 44 C LIG 1 6.705 -0.105 1.867 0.00 0.00 +0.024 A ENDBRANCH 32 34 ENDBRANCH 28 32 ENDBRANCH 24 26 ENDBRANCH 5 24 TORSDOF 7