REMARK Name = BDB022916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.612 -0.949 3.774 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -0.879 -1.459 2.527 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.183 -0.610 1.349 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.454 -0.707 0.786 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -3.274 -1.522 1.219 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -0.088 0.215 0.820 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.162 -0.612 0.633 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.488 -1.510 1.630 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.643 -2.220 1.427 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.406 -2.081 0.327 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.013 -1.190 -0.590 0.00 0.00 +0.216 A ATOM 12 N LIG 1 1.908 -0.438 -0.476 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 0.632 -1.596 2.850 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -2.799 0.181 -0.415 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.332 0.412 -0.512 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.745 0.656 -1.980 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.415 -0.456 -2.888 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -5.585 -1.283 -3.180 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.302 -1.291 -2.417 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.238 -0.464 -1.697 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.766 1.533 0.428 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -5.330 1.202 1.671 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.720 2.199 2.567 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.547 3.540 2.237 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.978 3.885 1.013 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.585 2.889 0.116 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 3.734 -0.987 -1.755 0.00 0.00 -0.304 N ATOM 28 H LIG 1 3.343 -0.133 -2.138 0.00 0.00 +0.150 HD BRANCH 27 29 ATOM 29 C LIG 1 5.204 -0.962 -1.671 0.00 0.00 +0.057 C ATOM 30 C LIG 1 5.739 -2.409 -1.559 0.00 0.00 +0.036 C ATOM 31 C LIG 1 5.682 -0.444 -3.059 0.00 0.00 +0.036 C BRANCH 29 32 ATOM 32 C LIG 1 5.785 -0.037 -0.614 0.00 0.00 +0.013 A ATOM 33 C LIG 1 5.396 1.259 -0.313 0.00 0.00 +0.113 A ATOM 34 N LIG 1 6.203 1.683 0.700 0.00 0.00 -0.274 N ATOM 35 C LIG 1 6.172 2.966 1.357 0.00 0.00 +0.172 C ATOM 36 N LIG 1 7.108 0.767 1.081 0.00 0.00 -0.180 NA ATOM 37 C LIG 1 6.846 -0.279 0.294 0.00 0.00 +0.140 A ENDBRANCH 29 32 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 5