REMARK Name = BDB005137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.478 0.747 -0.382 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.857 0.780 0.365 0.00 0.00 -0.025 A ATOM 3 C LIG 1 2.048 0.517 -0.339 0.00 0.00 +0.028 A ATOM 4 C LIG 1 3.302 0.500 0.293 0.00 0.00 +0.029 A ATOM 5 C LIG 1 3.349 0.826 1.652 0.00 0.00 +0.023 A ATOM 6 C LIG 1 2.181 1.081 2.374 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.942 1.049 1.738 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 4.441 0.302 -0.497 0.00 0.00 -0.316 N ATOM 9 H LIG 1 4.230 -0.243 -1.330 0.00 0.00 +0.149 HD BRANCH 8 10 ATOM 10 C LIG 1 5.683 -0.132 0.108 0.00 0.00 +0.231 C BRANCH 10 11 ATOM 11 C LIG 1 6.482 -0.944 -0.892 0.00 0.00 -0.001 A ATOM 12 C LIG 1 7.357 -0.338 -1.808 0.00 0.00 +0.008 A ATOM 13 C LIG 1 8.053 -1.105 -2.745 0.00 0.00 +0.000 A ATOM 14 C LIG 1 7.876 -2.487 -2.785 0.00 0.00 +0.000 A ATOM 15 C LIG 1 7.003 -3.103 -1.892 0.00 0.00 +0.000 A ATOM 16 C LIG 1 6.307 -2.337 -0.954 0.00 0.00 +0.008 A ENDBRANCH 10 11 BRANCH 10 17 ATOM 17 O LIG 1 6.378 1.040 0.467 0.00 0.00 -0.370 OA ATOM 18 H LIG 1 5.729 1.723 0.224 0.00 0.00 +0.212 HD ENDBRANCH 10 17 ENDBRANCH 8 10 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 -1.374 1.778 0.164 0.00 0.00 -0.322 N ATOM 20 H LIG 1 -0.845 2.622 0.376 0.00 0.00 +0.148 HD BRANCH 19 24 ATOM 21 C LIG 1 -5.376 4.429 -0.481 0.00 0.00 +0.063 A ATOM 22 C LIG 1 -4.447 3.489 -0.976 0.00 0.00 +0.088 A ATOM 23 C LIG 1 -3.392 3.107 -0.124 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -2.467 2.175 -0.639 0.00 0.00 +0.130 A ATOM 25 N LIG 1 -2.586 1.656 -1.869 0.00 0.00 -0.220 NA ATOM 26 C LIG 1 -3.623 2.069 -2.594 0.00 0.00 +0.223 A ATOM 27 C LIG 1 -3.302 3.644 1.185 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -4.228 4.565 1.653 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -4.546 2.960 -2.216 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -5.261 4.960 0.819 0.00 0.00 +0.015 A BRANCH 21 34 ATOM 31 N LIG 1 -6.718 4.453 -2.542 0.00 0.00 -0.325 N ATOM 32 H LIG 1 -6.085 3.760 -2.931 0.00 0.00 +0.145 HD ATOM 33 H LIG 1 -7.508 4.774 -3.082 0.00 0.00 +0.145 HD ATOM 34 C LIG 1 -6.540 4.931 -1.278 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -7.326 5.754 -0.820 0.00 0.00 -0.270 OA ENDBRANCH 21 34 ENDBRANCH 19 24 ENDBRANCH 1 19 BRANCH 1 36 ATOM 36 C LIG 1 -1.099 -0.668 -0.355 0.00 0.00 +0.042 C BRANCH 36 37 ATOM 37 C LIG 1 -1.593 -1.131 1.025 0.00 0.00 +0.086 C BRANCH 37 38 ATOM 38 N LIG 1 -2.268 -2.445 0.989 0.00 0.00 -0.302 NA ATOM 39 C LIG 1 -1.370 -3.520 0.534 0.00 0.00 +0.084 C ATOM 40 C LIG 1 -1.843 -4.906 0.970 0.00 0.00 +0.015 C ATOM 41 C LIG 1 -1.883 -5.024 2.493 0.00 0.00 +0.002 C ATOM 42 C LIG 1 -2.140 -3.680 3.171 0.00 0.00 +0.015 C ATOM 43 C LIG 1 -2.937 -2.744 2.266 0.00 0.00 +0.084 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 1 36 TORSDOF 11