REMARK Name = BDB016515 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.431 -1.627 0.914 0.00 0.00 -0.266 N ATOM 2 N LIG 1 -0.486 -2.605 1.022 0.00 0.00 -0.164 NA ATOM 3 C LIG 1 -1.027 -2.433 2.244 0.00 0.00 +0.168 A ATOM 4 C LIG 1 -2.116 -3.252 2.808 0.00 0.00 +0.266 C ATOM 5 N LIG 1 -2.838 -4.148 2.051 0.00 0.00 -0.310 N ATOM 6 H LIG 1 -3.568 -4.584 2.598 0.00 0.00 +0.149 HD ATOM 7 C LIG 1 -2.836 -4.424 0.625 0.00 0.00 +0.104 C ATOM 8 C LIG 1 -3.943 -3.677 -0.128 0.00 0.00 +0.019 C ATOM 9 C LIG 1 -3.790 -2.152 -0.141 0.00 0.00 +0.002 C ATOM 10 C LIG 1 -4.882 -1.498 -1.002 0.00 0.00 +0.002 C ATOM 11 C LIG 1 -4.846 0.035 -0.976 0.00 0.00 +0.023 C ATOM 12 C LIG 1 -3.639 0.629 -1.720 0.00 0.00 +0.143 C ATOM 13 N LIG 1 -2.874 1.583 -0.938 0.00 0.00 -0.271 N ATOM 14 N LIG 1 -2.558 2.791 -1.450 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -1.812 3.354 -0.491 0.00 0.00 +0.144 A ATOM 16 C LIG 1 -1.624 2.508 0.624 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.888 2.650 1.866 0.00 0.00 +0.075 A ATOM 18 N LIG 1 -0.976 1.589 2.695 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 -0.261 1.601 3.844 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -0.403 0.400 4.726 0.00 0.00 +0.267 C ATOM 21 N LIG 1 -0.699 -0.836 4.177 0.00 0.00 -0.277 N ATOM 22 H LIG 1 -1.189 -1.477 4.799 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 -0.352 0.543 5.948 0.00 0.00 -0.268 OA ATOM 24 C LIG 1 0.510 2.683 4.237 0.00 0.00 +0.033 A ATOM 25 C LIG 1 0.582 3.780 3.380 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -0.121 3.765 2.172 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -2.317 1.361 0.284 0.00 0.00 +0.118 A ATOM 28 O LIG 1 -2.444 -3.135 3.992 0.00 0.00 -0.268 OA ATOM 29 C LIG 1 -0.415 -1.316 2.907 0.00 0.00 +0.084 A ATOM 30 C LIG 1 0.538 -0.858 2.031 0.00 0.00 +0.132 A ENDROOT BRANCH 1 34 ATOM 31 N LIG 1 3.135 -0.099 -1.983 0.00 0.00 -0.301 NA ATOM 32 C LIG 1 3.433 -1.427 -1.432 0.00 0.00 +0.086 C ATOM 33 C LIG 1 2.680 -1.645 -0.123 0.00 0.00 +0.042 C ATOM 34 C LIG 1 1.177 -1.475 -0.333 0.00 0.00 +0.110 C ATOM 35 C LIG 1 0.864 -0.145 -1.019 0.00 0.00 +0.042 C ATOM 36 C LIG 1 1.703 0.040 -2.281 0.00 0.00 +0.086 C BRANCH 31 37 ATOM 37 C LIG 1 3.965 0.159 -3.176 0.00 0.00 +0.099 C BRANCH 37 38 ATOM 38 C LIG 1 4.029 1.638 -3.656 0.00 0.00 +0.099 C BRANCH 38 40 ATOM 39 C LIG 1 6.015 2.327 -2.404 0.00 0.00 +0.104 C ATOM 40 N LIG 1 4.644 2.659 -2.788 0.00 0.00 -0.307 NA ATOM 41 C LIG 1 3.841 2.972 -1.610 0.00 0.00 +0.104 C ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 31 37 ENDBRANCH 1 34 TORSDOF 4