REMARK Name = BDB036262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.920 -1.553 0.835 0.00 0.00 +0.061 A ATOM 2 C LIG 1 -1.061 -0.345 0.092 0.00 0.00 +0.151 A ATOM 3 N LIG 1 0.008 0.529 0.114 0.00 0.00 -0.271 N ATOM 4 C LIG 1 -0.330 1.597 -0.683 0.00 0.00 +0.120 A ATOM 5 C LIG 1 -1.612 1.343 -1.127 0.00 0.00 +0.074 A ATOM 6 C LIG 1 1.194 0.281 0.836 0.00 0.00 +0.202 A ATOM 7 N LIG 1 1.308 -0.832 1.505 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -2.049 0.129 -0.646 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 0.249 -1.715 1.491 0.00 0.00 +0.128 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 -4.232 -5.078 2.335 0.00 0.00 +0.067 C ATOM 11 C LIG 1 -3.384 -4.129 1.578 0.00 0.00 +0.061 A ATOM 12 N LIG 1 -3.491 -4.042 0.250 0.00 0.00 -0.176 NA ATOM 13 N LIG 1 -2.592 -3.094 -0.102 0.00 0.00 -0.266 N ATOM 14 C LIG 1 -2.428 -2.821 -1.512 0.00 0.00 +0.173 C ATOM 15 C LIG 1 -1.911 -2.570 0.975 0.00 0.00 +0.074 A ATOM 16 C LIG 1 -2.409 -3.241 2.077 0.00 0.00 +0.052 A ENDBRANCH 1 15 BRANCH 6 17 ATOM 17 N LIG 1 2.193 1.235 0.801 0.00 0.00 -0.310 N ATOM 18 H LIG 1 1.897 2.190 0.642 0.00 0.00 +0.149 HD BRANCH 17 19 ATOM 19 C LIG 1 3.389 1.129 1.621 0.00 0.00 +0.143 C BRANCH 19 20 ATOM 20 C LIG 1 4.374 0.135 1.071 0.00 0.00 +0.012 A ATOM 21 C LIG 1 4.771 0.098 -0.264 0.00 0.00 +0.005 A ATOM 22 C LIG 1 4.309 0.892 -1.428 0.00 0.00 +0.080 C ATOM 23 C LIG 1 5.393 0.513 -2.436 0.00 0.00 +0.234 C ATOM 24 O LIG 1 5.970 -0.754 -2.051 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 5.697 -0.839 -0.710 0.00 0.00 +0.124 A ATOM 26 C LIG 1 6.271 -1.771 0.130 0.00 0.00 +0.049 A ATOM 27 C LIG 1 5.910 -1.737 1.476 0.00 0.00 +0.042 A ATOM 28 C LIG 1 4.981 -0.791 1.932 0.00 0.00 +0.129 A ATOM 29 F LIG 1 4.684 -0.778 3.240 0.00 0.00 -0.205 F ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 5 30 ATOM 30 C LIG 1 -2.492 2.188 -1.996 0.00 0.00 +0.141 C BRANCH 30 31 ATOM 31 N LIG 1 -2.822 3.432 -1.290 0.00 0.00 -0.292 NA ATOM 32 C LIG 1 -3.806 4.219 -2.071 0.00 0.00 +0.117 C ATOM 33 C LIG 1 -4.619 4.432 -0.774 0.00 0.00 +0.142 C ATOM 34 C LIG 1 -3.855 3.193 -0.252 0.00 0.00 +0.117 C BRANCH 33 35 ATOM 35 O LIG 1 -4.415 5.685 -0.078 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 -4.694 5.508 0.836 0.00 0.00 +0.210 HD ENDBRANCH 33 35 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 7