REMARK Name = BDB016511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -3.546 3.734 3.869 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 -2.986 3.239 2.879 0.00 0.00 +0.267 C ATOM 3 C LIG 1 -3.670 3.368 1.585 0.00 0.00 +0.126 A ATOM 4 N LIG 1 -4.078 2.228 0.973 0.00 0.00 -0.242 NA ATOM 5 C LIG 1 -4.887 2.393 -0.106 0.00 0.00 +0.075 A ATOM 6 C LIG 1 -5.298 3.644 -0.571 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -4.873 4.789 0.093 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -5.298 1.187 -0.802 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -5.998 1.005 -2.018 0.00 0.00 +0.144 A ATOM 10 N LIG 1 -6.077 -0.277 -2.384 0.00 0.00 -0.179 NA ATOM 11 N LIG 1 -5.395 -0.919 -1.417 0.00 0.00 -0.271 N ATOM 12 C LIG 1 -5.018 -2.306 -1.616 0.00 0.00 +0.143 C ATOM 13 C LIG 1 -3.504 -2.551 -1.558 0.00 0.00 +0.023 C ATOM 14 C LIG 1 -2.686 -1.548 -2.385 0.00 0.00 +0.002 C ATOM 15 C LIG 1 -1.193 -1.865 -2.342 0.00 0.00 +0.002 C ATOM 16 C LIG 1 -0.323 -0.660 -2.726 0.00 0.00 +0.019 C ATOM 17 C LIG 1 -0.056 0.290 -1.552 0.00 0.00 +0.104 C ATOM 18 N LIG 1 -1.070 1.317 -1.358 0.00 0.00 -0.310 N ATOM 19 H LIG 1 -1.507 1.700 -2.186 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -1.109 2.237 -0.310 0.00 0.00 +0.266 C ATOM 21 O LIG 1 -1.707 3.297 -0.491 0.00 0.00 -0.268 OA ATOM 22 C LIG 1 -0.387 1.941 0.942 0.00 0.00 +0.168 A ATOM 23 C LIG 1 -0.738 2.139 2.323 0.00 0.00 +0.084 A ATOM 24 C LIG 1 0.369 1.677 3.019 0.00 0.00 +0.132 A ATOM 25 N LIG 1 1.286 1.283 2.105 0.00 0.00 -0.266 N ATOM 26 N LIG 1 0.875 1.454 0.850 0.00 0.00 -0.164 NA ATOM 27 C LIG 1 -4.998 -0.098 -0.401 0.00 0.00 +0.118 A ATOM 28 C LIG 1 -4.054 4.651 1.202 0.00 0.00 +0.033 A ATOM 29 N LIG 1 -1.780 2.630 3.088 0.00 0.00 -0.277 N ATOM 30 H LIG 1 -1.593 2.637 4.085 0.00 0.00 +0.155 HD ENDROOT BRANCH 25 31 ATOM 31 C LIG 1 2.602 0.702 2.372 0.00 0.00 +0.110 C ATOM 32 C LIG 1 2.572 -0.814 2.123 0.00 0.00 +0.046 C ATOM 33 C LIG 1 3.956 -1.360 1.801 0.00 0.00 +0.111 C ATOM 34 N LIG 1 4.555 -0.695 0.644 0.00 0.00 -0.286 N ATOM 35 C LIG 1 5.371 -1.321 -0.288 0.00 0.00 +0.302 C ATOM 36 N LIG 1 5.855 -2.552 0.102 0.00 0.00 -0.296 N ATOM 37 H LIG 1 5.983 -2.657 1.098 0.00 0.00 +0.151 HD ATOM 38 O LIG 1 5.646 -0.816 -1.373 0.00 0.00 -0.253 OA ATOM 39 C LIG 1 4.098 0.660 0.335 0.00 0.00 +0.111 C ATOM 40 C LIG 1 3.720 1.419 1.598 0.00 0.00 +0.046 C BRANCH 36 41 ATOM 41 C LIG 1 6.779 -3.274 -0.725 0.00 0.00 +0.075 C ATOM 42 C LIG 1 6.319 -4.455 -1.536 0.00 0.00 +0.024 C ATOM 43 C LIG 1 7.219 -4.665 -0.352 0.00 0.00 +0.024 C ENDBRANCH 36 41 ENDBRANCH 25 31 TORSDOF 2