REMARK Name = BDB005083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.272 1.995 -0.661 0.00 0.00 -0.026 A ATOM 2 C LIG 1 -0.018 1.444 -0.557 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.044 2.108 0.132 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.766 3.336 0.732 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.511 3.896 0.641 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.522 3.231 -0.048 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.303 1.473 0.184 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -2.366 0.588 -0.302 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -3.470 1.968 0.738 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -3.642 3.077 1.227 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -4.633 1.038 0.677 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -5.907 1.572 0.467 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -7.026 0.733 0.404 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -6.887 -0.655 0.561 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.606 -1.182 0.793 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -4.487 -0.341 0.854 0.00 0.00 +0.015 A BRANCH 14 17 ATOM 17 N LIG 1 -8.030 -1.515 0.495 0.00 0.00 -0.323 N ATOM 18 C LIG 1 -9.343 -1.131 0.281 0.00 0.00 +0.091 A ATOM 19 C LIG 1 -10.155 -2.245 0.282 0.00 0.00 +0.019 A ATOM 20 C LIG 1 -9.328 -3.361 0.503 0.00 0.00 +0.019 A ATOM 21 C LIG 1 -8.038 -2.893 0.629 0.00 0.00 +0.091 A ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 23 ATOM 22 C LIG 1 2.849 2.057 -2.616 0.00 0.00 +0.033 C ATOM 23 C LIG 1 2.367 1.243 -1.411 0.00 0.00 +0.099 C BRANCH 23 24 ATOM 24 N LIG 1 3.470 0.993 -0.477 0.00 0.00 -0.322 N ATOM 25 H LIG 1 3.113 0.836 0.463 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 4.354 -0.062 -0.788 0.00 0.00 +0.130 A ATOM 27 C LIG 1 5.449 -0.317 0.065 0.00 0.00 +0.041 A ATOM 28 C LIG 1 6.286 -1.395 -0.283 0.00 0.00 +0.088 A ATOM 29 C LIG 1 7.378 -1.674 0.566 0.00 0.00 +0.063 A ATOM 30 C LIG 1 7.632 -0.896 1.713 0.00 0.00 +0.015 A ATOM 31 C LIG 1 6.813 0.172 2.037 0.00 0.00 +0.002 A ATOM 32 N LIG 1 6.033 -2.121 -1.396 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 4.981 -1.775 -2.146 0.00 0.00 +0.223 A ATOM 34 C LIG 1 5.731 0.461 1.217 0.00 0.00 +0.013 A ATOM 35 N LIG 1 4.129 -0.784 -1.895 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 8.341 -2.794 0.323 0.00 0.00 +0.244 C ATOM 37 O LIG 1 9.279 -3.011 1.084 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 8.159 -3.584 -0.772 0.00 0.00 -0.325 N ATOM 39 H LIG 1 7.398 -3.408 -1.421 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 8.813 -4.332 -0.952 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 7