REMARK Name = BDB004758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.496 -1.510 2.485 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -1.158 -0.327 3.400 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 1.663 -1.648 0.276 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.717 -1.210 1.208 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.452 -1.949 1.465 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.653 -3.146 0.757 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.280 -3.589 -0.177 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.432 -2.842 -0.416 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 3.339 0.187 0.591 0.00 0.00 +0.250 C ATOM 10 N LIG 1 2.850 -0.947 -0.033 0.00 0.00 -0.281 N ATOM 11 H LIG 1 3.432 -1.381 -0.738 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.884 0.739 1.585 0.00 0.00 -0.270 OA BRANCH 9 16 ATOM 13 C LIG 1 6.844 1.787 -1.129 0.00 0.00 +0.214 A ATOM 14 N LIG 1 5.912 1.262 -1.956 0.00 0.00 -0.221 NA ATOM 15 C LIG 1 4.793 0.767 -1.373 0.00 0.00 +0.127 A ATOM 16 C LIG 1 4.577 0.747 -0.001 0.00 0.00 +0.055 A ATOM 17 C LIG 1 5.551 1.311 0.823 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.707 1.837 0.251 0.00 0.00 +0.068 A BRANCH 13 20 ATOM 19 C LIG 1 8.069 2.256 -3.066 0.00 0.00 +0.279 C ATOM 20 O LIG 1 8.010 2.314 -1.645 0.00 0.00 -0.480 OA ENDBRANCH 13 20 ENDBRANCH 9 16 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 N LIG 1 -2.837 -1.378 1.890 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -3.543 -1.292 2.614 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.083 -0.399 0.909 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -4.345 -0.358 0.278 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -4.542 0.654 -0.682 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -5.802 0.717 -1.315 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -6.823 -0.204 -1.008 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -6.614 -1.206 -0.075 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -3.547 1.520 -0.976 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -2.382 1.374 -0.335 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -5.383 -1.283 0.561 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -2.109 0.462 0.593 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -6.153 1.745 -2.346 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -7.254 1.763 -2.886 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -5.217 2.677 -2.681 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -4.292 2.660 -2.260 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -5.436 3.363 -3.388 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 7