REMARK Name = BDB022626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.974 -1.030 -0.323 0.00 0.00 -0.309 N ATOM 2 H LIG 1 -0.690 -1.359 -1.240 0.00 0.00 +0.149 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.272 -0.552 -0.298 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -2.976 -0.288 0.893 0.00 0.00 -0.183 N ATOM 5 C LIG 1 -4.269 0.163 0.852 0.00 0.00 +0.166 A ATOM 6 C LIG 1 -4.676 0.286 2.167 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -3.537 -0.111 2.915 0.00 0.00 +0.141 A ATOM 8 N LIG 1 -4.870 0.389 -0.341 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 -4.180 0.147 -1.424 0.00 0.00 +0.220 A ATOM 10 N LIG 1 -2.502 -0.467 2.149 0.00 0.00 -0.170 NA ATOM 11 N LIG 1 -2.888 -0.339 -1.431 0.00 0.00 -0.181 NA BRANCH 6 12 ATOM 12 C LIG 1 -6.012 0.733 2.680 0.00 0.00 +0.018 C ATOM 13 C LIG 1 -6.687 -0.362 3.511 0.00 0.00 +0.012 C ATOM 14 C LIG 1 -5.896 2.022 3.499 0.00 0.00 +0.012 C ENDBRANCH 6 12 BRANCH 9 15 ATOM 15 N LIG 1 -4.702 0.357 -2.667 0.00 0.00 -0.310 N ATOM 16 H LIG 1 -4.136 -0.030 -3.412 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 -6.078 0.683 -2.999 0.00 0.00 +0.077 C ATOM 18 C LIG 1 -6.479 2.064 -2.481 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -7.916 2.387 -2.884 0.00 0.00 +0.161 C ATOM 20 O LIG 1 -8.761 1.236 -2.976 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -8.376 0.185 -2.091 0.00 0.00 +0.161 C ATOM 22 C LIG 1 -7.053 -0.413 -2.555 0.00 0.00 +0.050 C ENDBRANCH 15 17 ENDBRANCH 9 15 ENDBRANCH 1 3 BRANCH 1 23 ATOM 23 C LIG 1 -0.317 -1.678 0.791 0.00 0.00 +0.139 C BRANCH 23 26 ATOM 24 C LIG 1 3.387 -1.900 -0.110 0.00 0.00 +0.034 A ATOM 25 C LIG 1 2.110 -1.384 0.137 0.00 0.00 +0.028 A ATOM 26 C LIG 1 1.019 -2.241 0.368 0.00 0.00 -0.029 A ATOM 27 C LIG 1 1.205 -3.624 0.259 0.00 0.00 +0.005 A ATOM 28 C LIG 1 2.468 -4.140 -0.026 0.00 0.00 +0.002 A ATOM 29 C LIG 1 3.558 -3.282 -0.193 0.00 0.00 +0.023 A BRANCH 24 31 ATOM 30 C LIG 1 5.797 -1.245 -0.062 0.00 0.00 +0.248 C ATOM 31 N LIG 1 4.444 -0.980 -0.242 0.00 0.00 -0.283 N ATOM 32 H LIG 1 4.197 0.003 -0.364 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 6.290 -2.333 0.234 0.00 0.00 -0.273 OA BRANCH 30 37 ATOM 34 C LIG 1 10.106 1.209 0.466 0.00 0.00 +0.239 C ATOM 35 N LIG 1 8.976 0.887 -0.251 0.00 0.00 -0.293 N ATOM 36 C LIG 1 8.145 -0.311 -0.077 0.00 0.00 +0.149 C ATOM 37 C LIG 1 6.644 0.037 -0.152 0.00 0.00 +0.221 C ATOM 38 O LIG 1 6.252 0.811 -1.303 0.00 0.00 -0.364 OA ATOM 39 C LIG 1 7.354 1.306 -2.080 0.00 0.00 +0.180 C ATOM 40 C LIG 1 8.463 1.881 -1.200 0.00 0.00 +0.136 C ATOM 41 O LIG 1 10.660 2.301 0.376 0.00 0.00 -0.271 OA BRANCH 34 43 ATOM 42 C LIG 1 11.351 0.504 2.456 0.00 0.00 +0.013 C ATOM 43 C LIG 1 10.652 0.158 1.366 0.00 0.00 +0.060 C ENDBRANCH 34 43 ENDBRANCH 30 37 ENDBRANCH 24 31 ENDBRANCH 23 26 ENDBRANCH 1 23 TORSDOF 9