REMARK Name = BDB004602 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.419 2.025 1.323 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.465 1.214 1.954 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.437 1.746 2.891 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.378 3.113 3.186 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.572 3.924 2.568 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.467 3.381 1.642 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.238 2.004 -0.398 0.00 0.00 +0.248 C ATOM 8 N LIG 1 2.283 1.400 0.400 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.129 0.410 0.261 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 3.463 3.204 -0.499 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 5.533 -0.653 -2.874 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.139 0.604 -3.340 0.00 0.00 +0.046 A ATOM 13 C LIG 1 4.398 1.465 -2.527 0.00 0.00 +0.016 A ATOM 14 C LIG 1 4.030 1.064 -1.240 0.00 0.00 +0.037 A ATOM 15 C LIG 1 4.436 -0.189 -0.762 0.00 0.00 +0.016 A ATOM 16 C LIG 1 5.183 -1.046 -1.581 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 6.712 -2.667 -3.339 0.00 0.00 +0.277 C ATOM 18 O LIG 1 6.254 -1.392 -3.771 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 19 ATOM 19 C LIG 1 -1.484 0.866 3.534 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 N LIG 1 -2.712 0.872 2.745 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -2.821 1.760 2.263 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.904 -0.176 1.822 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -4.066 -0.183 1.018 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -4.205 -1.255 0.114 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -5.350 -1.270 -0.712 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -6.328 -0.260 -0.628 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -6.192 0.780 0.277 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -3.267 -2.227 0.060 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -2.226 -2.140 0.894 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -5.071 0.816 1.094 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -1.998 -1.164 1.769 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -5.620 -2.342 -1.722 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -6.639 -2.340 -2.405 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -4.702 -3.337 -1.877 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -4.892 -4.079 -2.535 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -3.872 -3.376 -1.293 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 7