REMARK Name = BDB024760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.166 -2.785 -0.274 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.754 -1.514 0.164 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.765 -0.502 0.560 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.459 -0.892 1.878 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.222 0.925 0.737 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.189 1.240 -0.320 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.071 0.253 -0.163 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.720 0.636 -0.284 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.185 1.882 -0.512 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.122 1.722 -0.546 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.453 0.401 -0.333 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.713 -0.313 -0.167 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.978 -1.661 0.074 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.325 -2.033 0.185 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.375 -1.110 0.065 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.438 -3.692 -0.665 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.003 -4.184 -0.732 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.528 -2.920 -0.268 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.793 -0.161 -0.283 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 2.331 -0.217 1.153 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 3.700 -0.724 1.258 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 4.286 -0.348 0.506 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 3.769 -2.187 1.162 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 5.190 -2.574 0.881 0.00 0.00 +0.077 A ATOM 25 N LIG 1 5.774 -2.213 -0.275 0.00 0.00 -0.175 NA ATOM 26 N LIG 1 7.021 -2.711 -0.176 0.00 0.00 -0.274 N ATOM 27 C LIG 1 7.956 -2.503 -1.254 0.00 0.00 +0.172 C ATOM 28 C LIG 1 7.249 -3.378 0.991 0.00 0.00 +0.108 A ATOM 29 C LIG 1 6.078 -3.304 1.706 0.00 0.00 +0.045 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 1.127 2.808 -0.766 0.00 0.00 +0.097 C BRANCH 30 31 ATOM 31 C LIG 1 0.461 4.155 -1.026 0.00 0.00 +0.151 C BRANCH 31 32 ATOM 32 N LIG 1 1.436 5.226 -1.118 0.00 0.00 -0.271 N ATOM 33 N LIG 1 2.340 5.229 -2.118 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 3.057 6.333 -1.892 0.00 0.00 +0.134 A ATOM 35 C LIG 1 2.623 7.029 -0.749 0.00 0.00 +0.041 A ATOM 36 C LIG 1 1.572 6.286 -0.267 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9