REMARK Name = BDB039326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.953 0.351 0.986 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.232 1.492 1.304 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.631 2.503 1.850 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.854 1.262 0.855 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.807 0.024 0.219 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.616 -0.445 -0.309 0.00 0.00 +0.016 A ATOM 7 C LIG 1 0.468 0.358 -0.185 0.00 0.00 -0.001 A ATOM 8 C LIG 1 0.540 1.611 0.466 0.00 0.00 +0.011 A ATOM 9 C LIG 1 1.747 2.076 0.993 0.00 0.00 +0.014 A ATOM 10 C LIG 1 4.163 -0.601 0.214 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 10.175 -0.977 -0.006 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 9.094 -0.532 0.368 0.00 0.00 +0.219 C ATOM 13 N LIG 1 8.411 0.393 -0.380 0.00 0.00 -0.255 N ATOM 14 H LIG 1 8.827 0.596 -1.279 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 7.061 0.649 -0.301 0.00 0.00 +0.240 C ATOM 16 O LIG 1 6.457 1.099 -1.272 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.409 0.318 1.053 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.942 -1.025 1.544 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.456 -0.951 1.672 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -0.815 -0.111 -0.732 0.00 0.00 +0.055 A ATOM 21 N LIG 1 -1.096 -0.113 -2.107 0.00 0.00 -0.299 N ATOM 22 C LIG 1 -2.294 -0.571 -2.638 0.00 0.00 +0.066 A ATOM 23 C LIG 1 -2.176 -0.420 -4.000 0.00 0.00 +0.138 A ATOM 24 N LIG 1 -0.959 0.119 -4.329 0.00 0.00 -0.243 NA ATOM 25 C LIG 1 -3.286 -1.050 -1.743 0.00 0.00 +0.032 A ATOM 26 C LIG 1 -3.049 -1.046 -0.412 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -0.341 0.301 -3.181 0.00 0.00 +0.204 A ATOM 28 C LIG 1 -1.763 -0.570 0.112 0.00 0.00 +0.031 A BRANCH 26 29 ATOM 29 C LIG 1 -4.069 -1.545 0.586 0.00 0.00 +0.116 C BRANCH 29 30 ATOM 30 N LIG 1 -4.425 -0.577 1.627 0.00 0.00 -0.308 NA ATOM 31 H LIG 1 -5.020 -1.043 2.308 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 -5.136 0.603 1.124 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 C LIG 1 -6.520 0.307 0.596 0.00 0.00 -0.034 A ATOM 34 C LIG 1 -7.552 -0.074 1.467 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -8.827 -0.357 0.974 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -9.084 -0.261 -0.392 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -8.069 0.120 -1.266 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.793 0.404 -0.776 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 7 20 TORSDOF 6