REMARK Name = BDB062431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.005 1.613 0.737 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 0.257 0.492 -0.203 0.00 0.00 +0.103 C ATOM 3 C LIG 1 1.692 0.450 -0.775 0.00 0.00 +0.122 C ATOM 4 N LIG 1 2.657 0.289 0.327 0.00 0.00 -0.312 N ATOM 5 C LIG 1 2.376 1.062 1.548 0.00 0.00 +0.122 C ATOM 6 C LIG 1 1.264 2.115 1.323 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.978 0.070 -0.044 0.00 0.00 +0.140 A ATOM 8 N LIG 1 4.304 0.081 -1.359 0.00 0.00 -0.236 NA ATOM 9 C LIG 1 5.604 -0.154 -1.685 0.00 0.00 +0.146 A ATOM 10 C LIG 1 6.572 -0.405 -0.731 0.00 0.00 +0.143 A ATOM 11 N LIG 1 6.289 -0.443 0.599 0.00 0.00 -0.245 NA ATOM 12 C LIG 1 4.983 -0.209 0.897 0.00 0.00 +0.155 A BRANCH 10 13 ATOM 13 C LIG 1 7.982 -0.656 -1.141 0.00 0.00 +0.264 C ATOM 14 N LIG 1 8.852 -0.873 -0.092 0.00 0.00 -0.313 N ATOM 15 H LIG 1 8.435 -0.935 0.833 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 10.223 -1.255 -0.296 0.00 0.00 +0.128 C ATOM 17 O LIG 1 8.307 -0.671 -2.322 0.00 0.00 -0.268 OA ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 -0.968 1.239 1.774 0.00 0.00 +0.119 C BRANCH 18 28 ATOM 19 C LIG 1 -6.810 -1.089 -0.143 0.00 0.00 +0.017 A ATOM 20 C LIG 1 -6.051 -2.143 0.612 0.00 0.00 +0.252 A ATOM 21 O LIG 1 -6.520 -3.261 0.808 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 -4.808 -1.812 1.079 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -4.322 -2.541 1.582 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -4.216 -0.559 0.894 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -4.916 0.427 0.193 0.00 0.00 -0.001 A ATOM 26 C LIG 1 -4.329 1.679 0.005 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -3.054 1.937 0.516 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -2.347 0.947 1.219 0.00 0.00 -0.031 A ATOM 29 C LIG 1 -2.942 -0.309 1.407 0.00 0.00 +0.031 A ATOM 30 C LIG 1 -6.249 0.120 -0.328 0.00 0.00 +0.019 A BRANCH 19 32 ATOM 31 C LIG 1 -8.980 -0.486 -1.406 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -8.172 -1.522 -0.632 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 5