REMARK Name = BDB050676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.224 -0.862 -0.326 0.00 0.00 +0.176 C ATOM 2 C LIG 1 0.193 -1.254 -0.811 0.00 0.00 +0.238 C ATOM 3 O LIG 1 0.887 -2.066 -0.187 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.706 -0.624 -1.931 0.00 0.00 -0.285 N ATOM 5 C LIG 1 -0.022 0.259 -2.835 0.00 0.00 +0.078 C ATOM 6 C LIG 1 0.528 -0.137 -4.205 0.00 0.00 +0.025 C ATOM 7 C LIG 1 1.994 -0.459 -3.932 0.00 0.00 +0.034 C ATOM 8 C LIG 1 0.221 1.744 -2.525 0.00 0.00 +0.041 C ATOM 9 C LIG 1 0.009 2.139 -1.062 0.00 0.00 +0.109 C ATOM 10 N LIG 1 -1.251 1.669 -0.484 0.00 0.00 -0.299 N ATOM 11 C LIG 1 -2.520 2.148 -0.815 0.00 0.00 +0.220 C ATOM 12 O LIG 1 -3.533 1.550 -0.446 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 2.006 -1.014 -2.501 0.00 0.00 +0.162 C ATOM 14 C LIG 1 -1.176 0.492 0.398 0.00 0.00 +0.139 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -2.274 -3.071 0.109 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -1.690 -1.914 0.575 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -1.415 -1.921 1.552 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -2.514 -3.266 -1.079 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -2.522 -4.119 1.220 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -3.503 -5.199 0.772 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -4.189 -2.821 2.485 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -2.879 -3.472 2.512 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -2.902 -4.196 3.232 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 13 24 ATOM 24 C LIG 1 3.146 -0.411 -1.648 0.00 0.00 +0.234 C ATOM 25 N LIG 1 3.385 -1.109 -0.484 0.00 0.00 -0.303 N ATOM 26 H LIG 1 2.616 -1.706 -0.180 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 3.740 0.622 -1.944 0.00 0.00 -0.274 OA BRANCH 25 28 ATOM 28 C LIG 1 4.229 -0.574 0.567 0.00 0.00 +0.134 C BRANCH 28 29 ATOM 29 C LIG 1 4.959 -1.657 1.360 0.00 0.00 -0.023 A ATOM 30 C LIG 1 4.581 -3.010 1.342 0.00 0.00 +0.006 A ATOM 31 C LIG 1 5.276 -3.958 2.098 0.00 0.00 +0.000 A ATOM 32 C LIG 1 6.358 -3.571 2.883 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.747 -2.236 2.917 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.055 -1.287 2.162 0.00 0.00 +0.006 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 3.407 0.367 1.447 0.00 0.00 -0.023 A ATOM 36 C LIG 1 3.497 1.756 1.252 0.00 0.00 +0.006 A ATOM 37 C LIG 1 2.744 2.636 2.030 0.00 0.00 +0.000 A ATOM 38 C LIG 1 1.886 2.143 3.011 0.00 0.00 +0.000 A ATOM 39 C LIG 1 1.774 0.768 3.208 0.00 0.00 +0.000 A ATOM 40 C LIG 1 2.522 -0.115 2.427 0.00 0.00 +0.006 A ENDBRANCH 28 35 ENDBRANCH 25 28 ENDBRANCH 13 24 BRANCH 11 41 ATOM 41 C LIG 1 -2.612 3.404 -1.678 0.00 0.00 +0.131 C BRANCH 41 42 ATOM 42 C LIG 1 -3.833 4.248 -1.389 0.00 0.00 -0.039 A ATOM 43 C LIG 1 -5.020 4.056 -2.111 0.00 0.00 +0.004 A ATOM 44 C LIG 1 -6.147 4.832 -1.837 0.00 0.00 +0.000 A ATOM 45 C LIG 1 -6.100 5.805 -0.838 0.00 0.00 +0.000 A ATOM 46 C LIG 1 -4.928 5.996 -0.107 0.00 0.00 +0.000 A ATOM 47 C LIG 1 -3.801 5.219 -0.378 0.00 0.00 +0.004 A ENDBRANCH 41 42 ENDBRANCH 11 41 TORSDOF 9