REMARK Name = BDB035247 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.218 0.449 -0.790 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 1.029 -0.406 -0.717 0.00 0.00 -0.289 NA ATOM 3 C LIG 1 1.321 -1.814 -1.030 0.00 0.00 +0.100 C ATOM 4 C LIG 1 0.075 -2.732 -0.885 0.00 0.00 +0.100 C ATOM 5 N LIG 1 -1.248 -2.089 -1.066 0.00 0.00 -0.296 NA ATOM 6 C LIG 1 -1.098 -0.961 -2.006 0.00 0.00 +0.100 C ATOM 7 C LIG 1 -0.034 0.097 -1.612 0.00 0.00 +0.100 C BRANCH 5 8 ATOM 8 C LIG 1 -1.790 -1.655 0.237 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 C LIG 1 -3.204 -1.116 0.155 0.00 0.00 -0.033 A ATOM 10 C LIG 1 -4.242 -1.904 -0.348 0.00 0.00 +0.005 A ATOM 11 C LIG 1 -5.548 -1.406 -0.413 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -5.864 -0.106 0.024 0.00 0.00 -0.041 A ATOM 13 C LIG 1 -4.811 0.672 0.530 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -3.502 0.176 0.596 0.00 0.00 +0.005 A BRANCH 12 15 ATOM 15 C LIG 1 -7.311 0.407 -0.064 0.00 0.00 -0.003 C ATOM 16 C LIG 1 -7.496 1.864 0.463 0.00 0.00 +0.015 C ATOM 17 C LIG 1 -8.960 2.325 0.352 0.00 0.00 -0.010 C ATOM 18 C LIG 1 -9.850 1.387 1.179 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -9.720 -0.050 0.655 0.00 0.00 -0.010 C ATOM 20 C LIG 1 -10.147 -0.094 -0.821 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -9.261 0.845 -1.656 0.00 0.00 -0.010 C ATOM 22 C LIG 1 -9.393 2.277 -1.120 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -8.255 -0.506 0.773 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -7.795 0.391 -1.544 0.00 0.00 +0.015 C ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 26 ATOM 25 C LIG 1 3.938 -0.063 1.187 0.00 0.00 -0.064 C ATOM 26 C LIG 1 3.154 0.171 0.307 0.00 0.00 -0.081 C BRANCH 25 37 ATOM 27 C LIG 1 10.550 -0.240 1.967 0.00 0.00 +0.086 C ATOM 28 C LIG 1 9.039 -0.236 1.991 0.00 0.00 +0.111 A ATOM 29 N LIG 1 8.339 0.147 0.865 0.00 0.00 -0.284 N ATOM 30 C LIG 1 6.947 -0.005 0.819 0.00 0.00 +0.264 A ATOM 31 O LIG 1 6.319 0.087 -0.233 0.00 0.00 -0.267 OA ATOM 32 C LIG 1 6.257 -0.324 2.092 0.00 0.00 +0.080 A ATOM 33 C LIG 1 7.083 -0.603 3.183 0.00 0.00 +0.079 A ATOM 34 C LIG 1 6.513 -0.921 4.421 0.00 0.00 +0.028 A ATOM 35 C LIG 1 5.131 -0.959 4.580 0.00 0.00 +0.003 A ATOM 36 C LIG 1 4.307 -0.675 3.495 0.00 0.00 +0.018 A ATOM 37 C LIG 1 4.859 -0.355 2.245 0.00 0.00 +0.039 A ATOM 38 N LIG 1 8.476 -0.588 3.099 0.00 0.00 -0.234 NA BRANCH 29 39 ATOM 39 C LIG 1 9.007 0.535 -0.393 0.00 0.00 +0.178 C ATOM 40 C LIG 1 8.941 -0.614 -1.407 0.00 0.00 +0.242 C ATOM 41 O LIG 1 8.994 -1.800 -1.084 0.00 0.00 -0.273 OA ATOM 42 N LIG 1 8.948 -0.251 -2.734 0.00 0.00 -0.255 N ATOM 43 H LIG 1 8.918 -1.013 -3.398 0.00 0.00 +0.158 HD ATOM 44 C LIG 1 9.135 1.000 -3.265 0.00 0.00 +0.219 C ATOM 45 O LIG 1 9.268 1.162 -4.475 0.00 0.00 -0.275 OA ATOM 46 C LIG 1 9.270 2.140 -2.282 0.00 0.00 +0.099 C ATOM 47 C LIG 1 8.512 1.856 -0.995 0.00 0.00 +0.044 C ENDBRANCH 29 39 ENDBRANCH 25 37 ENDBRANCH 1 26 TORSDOF 7