REMARK Name = BDB022707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.467 0.901 -1.463 0.00 0.00 -0.309 N ATOM 2 H LIG 1 -0.320 0.092 -2.058 0.00 0.00 +0.149 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.715 0.904 -0.875 0.00 0.00 +0.223 A ATOM 4 N LIG 1 -2.252 2.018 -0.199 0.00 0.00 -0.183 N ATOM 5 C LIG 1 -3.505 1.959 0.359 0.00 0.00 +0.168 A ATOM 6 C LIG 1 -3.728 3.196 0.931 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -2.538 3.918 0.659 0.00 0.00 +0.141 A ATOM 8 N LIG 1 -4.239 0.820 0.272 0.00 0.00 -0.175 NA ATOM 9 C LIG 1 -3.683 -0.171 -0.357 0.00 0.00 +0.323 A ATOM 10 N LIG 1 -1.640 3.212 -0.034 0.00 0.00 -0.170 NA ATOM 11 N LIG 1 -2.441 -0.179 -0.947 0.00 0.00 -0.161 NA BRANCH 6 12 ATOM 12 C LIG 1 -4.947 3.649 1.677 0.00 0.00 +0.018 C ATOM 13 C LIG 1 -5.496 4.971 1.131 0.00 0.00 +0.012 C ATOM 14 C LIG 1 -4.671 3.761 3.179 0.00 0.00 +0.012 C ENDBRANCH 6 12 BRANCH 9 15 ATOM 15 O LIG 1 -4.293 -1.371 -0.516 0.00 0.00 -0.459 OA BRANCH 15 16 ATOM 16 C LIG 1 -5.615 -1.548 0.038 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -6.277 -2.724 -0.693 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -6.070 -4.033 0.066 0.00 0.00 +0.087 C ATOM 19 N LIG 1 -6.610 -4.010 1.432 0.00 0.00 -0.305 NA ATOM 20 C LIG 1 -7.904 -4.680 1.529 0.00 0.00 +0.104 C ATOM 21 C LIG 1 -6.666 -2.669 2.029 0.00 0.00 +0.087 C ATOM 22 C LIG 1 -5.517 -1.790 1.549 0.00 0.00 +0.060 C ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 1 3 BRANCH 1 23 ATOM 23 C LIG 1 0.292 2.074 -1.833 0.00 0.00 +0.139 C BRANCH 23 26 ATOM 24 C LIG 1 3.718 0.634 -2.756 0.00 0.00 +0.034 A ATOM 25 C LIG 1 2.598 1.045 -2.019 0.00 0.00 +0.028 A ATOM 26 C LIG 1 1.496 1.654 -2.646 0.00 0.00 -0.029 A ATOM 27 C LIG 1 1.522 1.839 -4.033 0.00 0.00 +0.005 A ATOM 28 C LIG 1 2.633 1.435 -4.771 0.00 0.00 +0.002 A ATOM 29 C LIG 1 3.725 0.837 -4.136 0.00 0.00 +0.023 A BRANCH 24 31 ATOM 30 C LIG 1 5.954 -0.478 -2.543 0.00 0.00 +0.220 C ATOM 31 N LIG 1 4.774 0.035 -2.036 0.00 0.00 -0.285 N ATOM 32 H LIG 1 4.625 -0.045 -1.040 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 6.283 -0.502 -3.725 0.00 0.00 -0.275 OA BRANCH 30 38 ATOM 34 C LIG 1 7.469 -1.688 2.754 0.00 0.00 +0.239 C ATOM 35 N LIG 1 7.142 -1.417 1.434 0.00 0.00 -0.298 N ATOM 36 C LIG 1 7.065 -2.557 0.521 0.00 0.00 +0.109 C ATOM 37 C LIG 1 6.287 -2.239 -0.748 0.00 0.00 +0.032 C ATOM 38 C LIG 1 6.901 -1.042 -1.483 0.00 0.00 +0.078 C ATOM 39 C LIG 1 7.411 0.056 -0.534 0.00 0.00 +0.032 C ATOM 40 C LIG 1 6.872 -0.087 0.885 0.00 0.00 +0.109 C ATOM 41 O LIG 1 7.676 -2.816 3.192 0.00 0.00 -0.271 OA BRANCH 34 43 ATOM 42 C LIG 1 8.715 0.103 3.836 0.00 0.00 +0.013 C ATOM 43 C LIG 1 7.548 -0.537 3.681 0.00 0.00 +0.060 C ENDBRANCH 34 43 ENDBRANCH 30 38 ENDBRANCH 24 31 ENDBRANCH 23 26 ENDBRANCH 1 23 TORSDOF 9