REMARK Name = BDB020696 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.199 1.625 0.680 0.00 0.00 +0.007 A ATOM 2 C LIG 1 -1.966 1.040 0.440 0.00 0.00 +0.055 A ATOM 3 N LIG 1 -2.160 -0.262 -0.034 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -1.094 -1.138 -0.398 0.00 0.00 +0.044 A ATOM 5 C LIG 1 0.184 -0.672 -0.284 0.00 0.00 -0.017 A ATOM 6 C LIG 1 0.393 0.677 0.265 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.429 -1.414 -0.703 0.00 0.00 +0.046 C ATOM 8 C LIG 1 -3.528 -0.470 -0.070 0.00 0.00 +0.092 A ATOM 9 C LIG 1 -0.626 1.488 0.597 0.00 0.00 +0.040 A ATOM 10 C LIG 1 -4.182 0.655 0.373 0.00 0.00 +0.028 A ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 -3.824 5.578 2.154 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -3.093 5.369 0.982 0.00 0.00 +0.046 A ATOM 13 C LIG 1 -2.882 4.077 0.494 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -3.398 2.974 1.180 0.00 0.00 -0.016 A ATOM 15 C LIG 1 -4.137 3.183 2.349 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -4.347 4.479 2.837 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 -4.692 7.155 3.706 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -3.955 6.889 2.520 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 1 14 BRANCH 6 19 ATOM 19 C LIG 1 1.745 1.242 0.537 0.00 0.00 +0.245 C ATOM 20 N LIG 1 2.378 0.628 1.588 0.00 0.00 -0.307 N ATOM 21 H LIG 1 1.938 -0.161 2.047 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.211 2.159 -0.125 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 3.752 0.907 1.935 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 C LIG 1 4.644 -0.081 1.241 0.00 0.00 +0.037 A ATOM 25 C LIG 1 4.625 -1.460 1.834 0.00 0.00 +0.254 A ATOM 26 O LIG 1 3.893 -1.754 2.775 0.00 0.00 -0.268 OA ATOM 27 N LIG 1 5.455 -2.389 1.261 0.00 0.00 -0.326 N ATOM 28 H LIG 1 5.429 -3.311 1.680 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 6.269 -2.144 0.184 0.00 0.00 +0.016 A ATOM 30 C LIG 1 7.100 -3.283 -0.318 0.00 0.00 +0.063 C ATOM 31 C LIG 1 6.279 -0.918 -0.358 0.00 0.00 +0.024 A ATOM 32 C LIG 1 5.450 0.153 0.181 0.00 0.00 -0.039 A ATOM 33 C LIG 1 5.582 1.463 -0.546 0.00 0.00 +0.044 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 6 19 BRANCH 4 34 ATOM 34 C LIG 1 -1.419 -2.563 -0.879 0.00 0.00 +0.101 C ATOM 35 C LIG 1 -1.897 -3.393 0.332 0.00 0.00 +0.031 C BRANCH 34 36 ATOM 36 N LIG 1 -2.335 -2.612 -2.039 0.00 0.00 -0.290 NA ATOM 37 C LIG 1 -1.808 -1.921 -3.240 0.00 0.00 +0.113 C ATOM 38 C LIG 1 -1.263 -2.879 -4.312 0.00 0.00 +0.175 C ATOM 39 O LIG 1 -2.240 -3.813 -4.790 0.00 0.00 -0.377 OA ATOM 40 C LIG 1 -3.272 -4.082 -3.832 0.00 0.00 +0.175 C ATOM 41 C LIG 1 -2.767 -3.984 -2.385 0.00 0.00 +0.113 C ENDBRANCH 34 36 ENDBRANCH 4 34 TORSDOF 7