REMARK Name = BDB005043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.625 -2.833 0.149 0.00 0.00 +0.033 C ATOM 2 C LIG 1 1.014 -1.429 0.109 0.00 0.00 +0.099 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -0.289 -1.398 0.905 0.00 0.00 -0.026 A ATOM 4 C LIG 1 -1.504 -1.118 0.251 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -2.711 -1.077 0.955 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -2.699 -1.323 2.333 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -1.503 -1.598 2.998 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.305 -1.633 2.289 0.00 0.00 +0.005 A BRANCH 5 9 ATOM 9 N LIG 1 -3.962 -0.809 0.361 0.00 0.00 -0.281 N ATOM 10 H LIG 1 -4.755 -0.818 0.990 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -4.213 -0.473 -0.955 0.00 0.00 +0.250 C ATOM 12 O LIG 1 -3.387 -0.281 -1.839 0.00 0.00 -0.270 OA BRANCH 11 13 ATOM 13 C LIG 1 -5.672 -0.293 -1.238 0.00 0.00 +0.053 A ATOM 14 C LIG 1 -6.033 0.737 -2.021 0.00 0.00 +0.099 A ATOM 15 N LIG 1 -7.358 0.958 -2.316 0.00 0.00 -0.328 N ATOM 16 H LIG 1 -7.625 1.742 -2.901 0.00 0.00 +0.168 HD ATOM 17 C LIG 1 -8.389 0.168 -1.865 0.00 0.00 +0.249 A ATOM 18 O LIG 1 -9.564 0.390 -2.124 0.00 0.00 -0.268 OA ATOM 19 C LIG 1 -7.989 -0.997 -1.032 0.00 0.00 +0.071 A ATOM 20 C LIG 1 -6.693 -1.204 -0.749 0.00 0.00 +0.020 A ENDBRANCH 11 13 ENDBRANCH 5 9 ENDBRANCH 2 3 BRANCH 2 21 ATOM 21 N LIG 1 1.928 -0.441 0.698 0.00 0.00 -0.322 N ATOM 22 H LIG 1 1.404 0.380 0.997 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 2.993 0.012 -0.113 0.00 0.00 +0.130 A ATOM 24 C LIG 1 3.909 0.946 0.416 0.00 0.00 +0.041 A ATOM 25 C LIG 1 4.935 1.383 -0.444 0.00 0.00 +0.088 A ATOM 26 C LIG 1 5.854 2.326 0.063 0.00 0.00 +0.063 A ATOM 27 C LIG 1 5.756 2.808 1.383 0.00 0.00 +0.015 A ATOM 28 C LIG 1 4.751 2.361 2.225 0.00 0.00 +0.002 A ATOM 29 N LIG 1 5.020 0.900 -1.705 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 4.111 -0.002 -2.093 0.00 0.00 +0.223 A ATOM 31 C LIG 1 3.836 1.435 1.745 0.00 0.00 +0.013 A ATOM 32 N LIG 1 3.104 -0.469 -1.359 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 6.987 2.883 -0.741 0.00 0.00 +0.244 C ATOM 34 O LIG 1 7.760 3.714 -0.274 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 7.152 2.448 -2.022 0.00 0.00 -0.325 N ATOM 36 H LIG 1 7.911 2.821 -2.574 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 6.518 1.766 -2.427 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 2 21 TORSDOF 6