REMARK Name = BDB024193 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.717 -1.317 0.083 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.331 -2.692 0.300 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.357 -3.650 -0.727 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.931 -4.904 -0.517 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.486 -5.220 0.721 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.466 -4.282 1.751 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.891 -3.026 1.544 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.841 -1.367 -0.034 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.399 -0.111 0.149 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.801 0.671 0.372 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 1.480 -2.389 -0.264 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.741 0.259 0.096 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.935 1.570 0.348 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.213 2.028 0.318 0.00 0.00 +0.121 A ATOM 15 C LIG 1 5.330 1.245 0.047 0.00 0.00 +0.003 A ATOM 16 C LIG 1 5.091 -0.105 -0.213 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.786 -0.606 -0.188 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.664 1.816 0.030 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.838 1.113 0.215 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.851 2.025 0.138 0.00 0.00 -0.274 N ATOM 21 C LIG 1 10.265 1.769 0.271 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.424 3.280 -0.083 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.097 3.152 -0.149 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.249 -0.623 -1.117 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -0.721 0.230 -1.290 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.683 -0.315 -1.058 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.066 0.741 -0.011 0.00 0.00 +0.050 C BRANCH 27 32 ATOM 28 C LIG 1 -8.726 2.079 -0.352 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -7.266 1.752 -0.238 0.00 0.00 -0.050 A ATOM 30 C LIG 1 -6.306 2.575 -0.836 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -4.949 2.254 -0.758 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -4.530 1.100 -0.085 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -5.493 0.267 0.497 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -6.850 0.589 0.418 0.00 0.00 +0.003 A ENDBRANCH 27 32 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8