REMARK Name = BDB024122 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.474 -1.235 -0.631 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.434 -2.671 -1.132 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.247 -3.750 -0.253 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.218 -5.061 -0.731 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.381 -5.311 -2.092 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.572 -4.252 -2.976 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.600 -2.940 -2.501 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.830 -0.399 -0.643 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.677 -0.318 -1.639 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.172 -0.898 0.162 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.084 -1.090 1.376 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.720 0.881 0.185 0.00 0.00 +0.020 A ATOM 13 C LIG 1 4.119 0.842 -1.074 0.00 0.00 +0.123 A ATOM 14 N LIG 1 2.849 0.427 -1.327 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 2.112 0.006 -0.282 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.608 -0.008 1.011 0.00 0.00 +0.044 A ATOM 17 C LIG 1 3.917 0.430 1.240 0.00 0.00 +0.015 A BRANCH 12 22 ATOM 18 C LIG 1 10.138 2.651 0.469 0.00 0.00 +0.067 C ATOM 19 C LIG 1 8.711 2.205 0.468 0.00 0.00 +0.061 A ATOM 20 N LIG 1 8.204 1.720 -0.681 0.00 0.00 -0.154 NA ATOM 21 N LIG 1 6.896 1.298 -0.732 0.00 0.00 -0.149 NA ATOM 22 C LIG 1 6.101 1.358 0.360 0.00 0.00 +0.095 A ATOM 23 C LIG 1 6.607 1.862 1.553 0.00 0.00 +0.032 A ATOM 24 C LIG 1 7.932 2.291 1.609 0.00 0.00 +0.027 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.635 -0.939 0.234 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -2.556 -1.506 1.079 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.928 -1.145 -0.420 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -5.144 -0.640 0.402 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -5.199 -1.233 1.815 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -5.264 0.878 0.415 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -4.342 1.686 1.097 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.469 3.078 1.094 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.524 3.684 0.409 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -6.449 2.891 -0.274 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -6.320 1.500 -0.271 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -5.656 5.111 0.405 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -5.765 6.267 0.400 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9