REMARK Name = BDB004928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.386 -2.339 -0.037 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -2.688 -2.359 -0.554 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -3.656 -3.247 -0.057 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -3.307 -4.114 0.986 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.015 -4.098 1.508 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.060 -3.213 1.000 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 1.375 -0.158 -0.983 0.00 0.00 -0.269 N ATOM 8 H LIG 1 0.690 0.508 -1.303 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 0.873 -1.284 -0.344 0.00 0.00 +0.308 C ATOM 10 N LIG 1 -0.488 -1.402 -0.591 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -0.849 -0.846 -1.351 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 1.532 -2.056 0.339 0.00 0.00 -0.252 OA BRANCH 7 16 ATOM 13 C LIG 1 5.360 1.233 -1.296 0.00 0.00 +0.121 A ATOM 14 C LIG 1 5.115 -0.021 -0.742 0.00 0.00 +0.047 A ATOM 15 C LIG 1 3.803 -0.505 -0.627 0.00 0.00 +0.027 A ATOM 16 C LIG 1 2.720 0.261 -1.058 0.00 0.00 +0.035 A ATOM 17 C LIG 1 2.969 1.518 -1.618 0.00 0.00 +0.027 A ATOM 18 C LIG 1 4.277 1.998 -1.732 0.00 0.00 +0.047 A BRANCH 13 19 ATOM 19 O LIG 1 6.578 1.829 -1.461 0.00 0.00 -0.491 OA BRANCH 19 20 ATOM 20 C LIG 1 7.755 1.091 -1.116 0.00 0.00 +0.244 C BRANCH 20 21 ATOM 21 C LIG 1 8.105 1.278 0.371 0.00 0.00 +0.124 C BRANCH 21 23 ATOM 22 C LIG 1 10.505 0.889 0.222 0.00 0.00 +0.104 C ATOM 23 N LIG 1 9.244 0.459 0.829 0.00 0.00 -0.305 NA ATOM 24 C LIG 1 9.351 0.527 2.289 0.00 0.00 +0.104 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 3 25 ATOM 25 C LIG 1 -5.066 -3.232 -0.601 0.00 0.00 +0.138 C BRANCH 25 26 ATOM 26 N LIG 1 -5.899 -2.310 0.166 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -5.574 -2.258 1.129 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -6.064 -1.003 -0.334 0.00 0.00 +0.130 A ATOM 29 C LIG 1 -6.822 -0.070 0.407 0.00 0.00 +0.041 A ATOM 30 C LIG 1 -6.954 1.220 -0.144 0.00 0.00 +0.088 A ATOM 31 C LIG 1 -7.688 2.175 0.593 0.00 0.00 +0.063 A ATOM 32 C LIG 1 -8.277 1.852 1.830 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -8.160 0.576 2.354 0.00 0.00 +0.002 A ATOM 34 N LIG 1 -6.393 1.512 -1.339 0.00 0.00 -0.235 NA ATOM 35 C LIG 1 -5.729 0.540 -1.973 0.00 0.00 +0.223 A ATOM 36 C LIG 1 -7.441 -0.378 1.647 0.00 0.00 +0.013 A ATOM 37 N LIG 1 -5.534 -0.699 -1.529 0.00 0.00 -0.220 NA BRANCH 31 38 ATOM 38 C LIG 1 -7.897 3.584 0.131 0.00 0.00 +0.244 C ATOM 39 O LIG 1 -8.462 4.413 0.836 0.00 0.00 -0.270 OA ATOM 40 N LIG 1 -7.445 3.939 -1.105 0.00 0.00 -0.325 N ATOM 41 H LIG 1 -6.929 3.279 -1.679 0.00 0.00 +0.145 HD ATOM 42 H LIG 1 -7.552 4.896 -1.407 0.00 0.00 +0.145 HD ENDBRANCH 31 38 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 10