REMARK Name = BDB026690 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.102 3.066 -1.606 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -2.711 3.232 -1.624 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.896 2.168 -1.204 0.00 0.00 +0.091 A ATOM 4 N LIG 1 -0.535 2.112 -1.171 0.00 0.00 -0.227 NA ATOM 5 C LIG 1 -0.224 0.923 -0.685 0.00 0.00 +0.146 A ATOM 6 N LIG 1 -1.375 0.160 -0.456 0.00 0.00 -0.292 N ATOM 7 C LIG 1 -2.463 0.975 -0.769 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -3.854 0.774 -0.799 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -4.658 1.843 -1.215 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.443 -1.199 -0.025 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -0.525 -2.140 -0.515 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -0.576 -3.469 -0.076 0.00 0.00 -0.024 A ATOM 13 C LIG 1 0.335 -4.514 -0.657 0.00 0.00 +0.046 C ATOM 14 C LIG 1 0.601 -5.629 0.341 0.00 0.00 +0.101 C ATOM 15 C LIG 1 -0.672 -6.127 0.986 0.00 0.00 +0.218 C ATOM 16 N LIG 1 -1.626 -5.184 1.264 0.00 0.00 -0.285 N ATOM 17 H LIG 1 -2.412 -5.506 1.813 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -0.819 -7.296 1.337 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -1.560 -3.855 0.839 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -2.489 -2.931 1.312 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -2.427 -1.601 0.887 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 5 22 ATOM 22 C LIG 1 1.160 0.536 -0.379 0.00 0.00 +0.018 A ATOM 23 C LIG 1 1.525 0.026 0.873 0.00 0.00 +0.012 A ATOM 24 C LIG 1 2.851 -0.329 1.135 0.00 0.00 +0.006 A ATOM 25 C LIG 1 3.840 -0.168 0.154 0.00 0.00 -0.030 A ATOM 26 C LIG 1 3.482 0.373 -1.086 0.00 0.00 +0.006 A ATOM 27 C LIG 1 2.154 0.725 -1.348 0.00 0.00 +0.012 A BRANCH 25 28 ATOM 28 C LIG 1 5.273 -0.525 0.457 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 N LIG 1 5.917 0.529 1.208 0.00 0.00 -0.311 N ATOM 30 H LIG 1 6.015 1.426 0.753 0.00 0.00 +0.149 HD ATOM 31 C LIG 1 6.053 0.462 2.574 0.00 0.00 +0.210 C ATOM 32 O LIG 1 5.730 -0.511 3.248 0.00 0.00 -0.276 OA ATOM 33 C LIG 1 6.629 1.706 3.195 0.00 0.00 +0.109 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 5 22 BRANCH 1 37 ATOM 34 C LIG 1 -5.414 6.568 -2.191 0.00 0.00 +0.128 C ATOM 35 N LIG 1 -4.555 5.446 -1.906 0.00 0.00 -0.314 N ATOM 36 H LIG 1 -3.737 5.615 -1.336 0.00 0.00 +0.149 HD ATOM 37 C LIG 1 -5.023 4.154 -2.038 0.00 0.00 +0.244 C ATOM 38 O LIG 1 -6.144 3.882 -2.452 0.00 0.00 -0.270 OA ENDBRANCH 1 37 TORSDOF 5