REMARK Name = BDB065388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.905 -1.581 -0.125 0.00 0.00 -0.251 N ATOM 2 N LIG 1 0.650 -1.800 1.175 0.00 0.00 -0.065 NA ATOM 3 N LIG 1 -0.654 -1.638 1.353 0.00 0.00 -0.130 NA ATOM 4 C LIG 1 -1.219 -1.307 0.144 0.00 0.00 +0.113 A ATOM 5 C LIG 1 -0.229 -1.267 -0.813 0.00 0.00 +0.138 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.639 -1.053 -0.039 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -3.514 -1.206 1.045 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -4.885 -0.969 0.901 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -5.413 -0.572 -0.333 0.00 0.00 -0.028 A ATOM 10 C LIG 1 -4.543 -0.417 -1.419 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -3.171 -0.656 -1.273 0.00 0.00 +0.010 A BRANCH 9 12 ATOM 12 C LIG 1 -6.894 -0.304 -0.481 0.00 0.00 +0.161 C BRANCH 12 13 ATOM 13 N LIG 1 -7.302 0.951 0.154 0.00 0.00 -0.296 N ATOM 14 C LIG 1 -7.913 0.901 1.401 0.00 0.00 +0.330 A ATOM 15 O LIG 1 -8.159 -0.135 2.014 0.00 0.00 -0.246 OA ATOM 16 N LIG 1 -8.251 2.115 1.942 0.00 0.00 -0.275 N ATOM 17 H LIG 1 -8.696 2.098 2.846 0.00 0.00 +0.173 HD ATOM 18 C LIG 1 -8.032 3.336 1.376 0.00 0.00 +0.254 A ATOM 19 O LIG 1 -8.361 4.390 1.907 0.00 0.00 -0.268 OA ATOM 20 C LIG 1 -7.370 3.323 0.063 0.00 0.00 +0.088 A ATOM 21 C LIG 1 -7.039 2.150 -0.480 0.00 0.00 +0.096 A ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 4 6 BRANCH 1 22 ATOM 22 C LIG 1 2.258 -1.685 -0.633 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 C LIG 1 2.705 -3.140 -0.765 0.00 0.00 +0.024 C BRANCH 23 24 ATOM 24 C LIG 1 4.024 -3.329 -1.524 0.00 0.00 +0.006 C BRANCH 24 25 ATOM 25 C LIG 1 5.287 -2.955 -0.737 0.00 0.00 +0.035 C BRANCH 25 29 ATOM 26 C LIG 1 6.043 1.286 -0.327 0.00 0.00 +0.059 A ATOM 27 C LIG 1 5.872 0.484 0.807 0.00 0.00 +0.015 A ATOM 28 C LIG 1 5.631 -0.887 0.670 0.00 0.00 +0.004 A ATOM 29 C LIG 1 5.546 -1.475 -0.600 0.00 0.00 -0.047 A ATOM 30 C LIG 1 5.734 -0.670 -1.732 0.00 0.00 +0.004 A ATOM 31 C LIG 1 5.975 0.700 -1.597 0.00 0.00 +0.015 A BRANCH 26 32 ATOM 32 C LIG 1 6.299 2.750 -0.242 0.00 0.00 +0.339 C ATOM 33 O LIG 1 6.422 3.469 -1.221 0.00 0.00 -0.245 OA BRANCH 32 35 ATOM 34 C LIG 1 6.614 4.549 1.213 0.00 0.00 +0.280 C ATOM 35 O LIG 1 6.371 3.151 1.052 0.00 0.00 -0.464 OA ENDBRANCH 32 35 ENDBRANCH 26 32 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 10