REMARK Name = BDB024812 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.881 -1.667 2.094 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.321 -0.967 1.009 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.307 -0.459 0.037 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.103 0.718 0.628 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.697 -0.094 -1.315 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.558 0.884 -1.123 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.547 0.294 -0.183 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.184 0.647 -0.315 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.598 1.526 -1.196 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.695 1.490 -0.948 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.963 0.626 0.093 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.226 0.065 0.501 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.548 -0.889 1.462 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -1.906 -1.220 1.597 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.926 -0.623 0.834 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.033 -2.100 2.090 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -4.689 -2.412 4.313 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -4.084 -1.763 3.194 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 2.262 0.366 0.686 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.953 -0.828 0.057 0.00 0.00 +0.233 C ATOM 21 N LIG 1 3.772 -1.524 0.924 0.00 0.00 -0.307 N ATOM 22 H LIG 1 4.103 -1.059 1.761 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 2.824 -1.148 -1.120 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.585 -2.612 0.426 0.00 0.00 +0.180 C BRANCH 24 25 ATOM 25 C LIG 1 5.228 -3.287 1.570 0.00 0.00 +0.142 A ATOM 26 O LIG 1 6.095 -2.551 2.337 0.00 0.00 -0.446 OA ATOM 27 C LIG 1 6.524 -3.435 3.280 0.00 0.00 +0.308 A ATOM 28 N LIG 1 6.005 -4.638 3.191 0.00 0.00 -0.224 NA ATOM 29 C LIG 1 5.178 -4.555 2.099 0.00 0.00 +0.157 A ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 1.748 2.256 -1.681 0.00 0.00 +0.097 C BRANCH 30 31 ATOM 31 C LIG 1 1.163 3.086 -2.820 0.00 0.00 +0.151 C BRANCH 31 32 ATOM 32 N LIG 1 2.204 3.754 -3.581 0.00 0.00 -0.271 N ATOM 33 N LIG 1 2.981 4.681 -2.987 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 3.803 5.077 -3.963 0.00 0.00 +0.134 A ATOM 35 C LIG 1 3.561 4.401 -5.173 0.00 0.00 +0.041 A ATOM 36 C LIG 1 2.520 3.548 -4.894 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 8