REMARK Name = BDB024805 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.376 -3.481 -0.679 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.204 -2.207 -0.108 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.373 -1.307 0.058 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -7.343 -1.849 1.125 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -6.033 0.139 0.451 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.793 0.614 -0.270 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.668 -0.297 0.125 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.373 0.199 0.389 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.924 1.498 0.379 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.643 1.446 0.679 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.248 0.142 0.903 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.342 -0.673 0.714 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.532 -2.053 0.790 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.821 -2.537 0.523 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.890 -1.693 0.187 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.505 -4.326 -0.854 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.900 -4.983 -1.662 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.668 -3.698 -1.080 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.072 -0.295 1.331 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.095 -0.277 0.211 0.00 0.00 +0.235 C ATOM 21 N LIG 1 3.417 -0.411 0.585 0.00 0.00 -0.298 N ATOM 22 C LIG 1 4.474 -0.458 -0.416 0.00 0.00 +0.130 C ATOM 23 C LIG 1 5.736 -0.857 0.364 0.00 0.00 +0.092 C ATOM 24 C LIG 1 5.450 -0.323 1.766 0.00 0.00 +0.043 C ATOM 25 C LIG 1 3.955 -0.560 1.927 0.00 0.00 +0.110 C ATOM 26 O LIG 1 1.777 -0.163 -0.973 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 N LIG 1 6.965 -0.326 -0.195 0.00 0.00 -0.311 N ATOM 28 H LIG 1 7.192 0.646 -0.018 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 7.542 -0.924 -1.295 0.00 0.00 +0.210 C ATOM 30 O LIG 1 7.131 -1.968 -1.787 0.00 0.00 -0.276 OA ATOM 31 C LIG 1 8.724 -0.182 -1.857 0.00 0.00 +0.109 C ENDBRANCH 23 27 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 0.252 2.638 0.756 0.00 0.00 +0.097 C BRANCH 32 33 ATOM 33 C LIG 1 0.643 3.121 -0.635 0.00 0.00 +0.151 C BRANCH 33 34 ATOM 34 N LIG 1 1.449 4.326 -0.564 0.00 0.00 -0.271 N ATOM 35 N LIG 1 2.718 4.263 -0.108 0.00 0.00 -0.180 NA ATOM 36 C LIG 1 3.142 5.528 -0.190 0.00 0.00 +0.134 A ATOM 37 C LIG 1 2.147 6.400 -0.672 0.00 0.00 +0.041 A ATOM 38 C LIG 1 1.060 5.591 -0.906 0.00 0.00 +0.108 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 7