REMARK Name = BDB005022 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.117 0.383 -0.351 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.449 0.355 1.020 0.00 0.00 -0.025 A ATOM 3 C LIG 1 -0.102 -0.035 1.126 0.00 0.00 +0.028 A ATOM 4 C LIG 1 0.547 -0.092 2.367 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -0.167 0.244 3.516 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -1.505 0.638 3.426 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -2.142 0.696 2.188 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 1.903 -0.482 2.358 0.00 0.00 -0.280 N ATOM 9 H LIG 1 2.292 -0.662 1.445 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 2.748 -0.646 3.437 0.00 0.00 +0.266 C ATOM 11 O LIG 1 2.435 -0.520 4.615 0.00 0.00 -0.268 OA BRANCH 10 12 ATOM 12 C LIG 1 4.101 -1.007 3.080 0.00 0.00 +0.121 A ATOM 13 N LIG 1 5.042 -1.261 4.047 0.00 0.00 -0.272 N ATOM 14 H LIG 1 4.902 -1.226 5.053 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 6.251 -1.590 3.565 0.00 0.00 -0.178 NA ATOM 16 C LIG 1 6.084 -1.521 2.245 0.00 0.00 +0.067 A ATOM 17 C LIG 1 4.770 -1.173 1.881 0.00 0.00 +0.057 A BRANCH 16 18 ATOM 18 C LIG 1 7.221 -1.814 1.232 0.00 0.00 +0.040 C ATOM 19 C LIG 1 8.580 -1.203 1.458 0.00 0.00 +0.010 C ATOM 20 C LIG 1 7.714 -0.705 0.338 0.00 0.00 +0.010 C ENDBRANCH 16 18 ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 N LIG 1 -2.739 1.704 -0.579 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -3.446 1.655 -1.306 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -1.868 2.767 -0.917 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -2.395 4.071 -1.035 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -1.492 5.087 -1.403 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -2.003 6.394 -1.540 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -3.364 6.678 -1.316 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -4.239 5.674 -0.936 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -0.189 4.798 -1.618 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 0.205 3.530 -1.460 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -3.757 4.381 -0.793 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -0.571 2.501 -1.131 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -1.158 7.564 -1.937 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -1.654 8.645 -2.235 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 0.196 7.405 -1.969 0.00 0.00 -0.325 N ATOM 36 H LIG 1 0.603 6.478 -1.888 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 0.756 8.160 -2.338 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 1 38 ATOM 38 C LIG 1 -3.221 -0.695 -0.462 0.00 0.00 +0.042 C BRANCH 38 39 ATOM 39 C LIG 1 -2.719 -2.138 -0.284 0.00 0.00 +0.086 C BRANCH 39 44 ATOM 40 C LIG 1 -3.108 -6.481 -1.980 0.00 0.00 +0.105 C ATOM 41 N LIG 1 -2.776 -5.095 -1.674 0.00 0.00 -0.303 NA ATOM 42 C LIG 1 -2.453 -4.326 -2.882 0.00 0.00 +0.099 C ATOM 43 C LIG 1 -2.191 -2.823 -2.578 0.00 0.00 +0.100 C ATOM 44 N LIG 1 -1.650 -2.499 -1.234 0.00 0.00 -0.300 NA ATOM 45 C LIG 1 -0.891 -3.665 -0.736 0.00 0.00 +0.100 C ATOM 46 C LIG 1 -1.674 -5.006 -0.695 0.00 0.00 +0.099 C ENDBRANCH 39 44 ENDBRANCH 38 39 ENDBRANCH 1 38 TORSDOF 10