REMARK Name = BDB004840 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.327 -0.461 -2.325 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.389 -1.318 -1.734 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.566 -1.998 -2.506 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.577 -1.803 -3.893 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.358 -0.958 -4.489 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.306 -0.292 -3.709 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.202 1.115 -1.806 0.00 0.00 +0.248 C ATOM 8 N LIG 1 2.247 0.175 -1.465 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.136 -0.034 -0.481 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 3.385 1.620 -2.907 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 5.286 1.176 1.343 0.00 0.00 +0.119 A ATOM 12 N LIG 1 5.631 2.477 1.412 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 5.221 3.307 0.427 0.00 0.00 +0.113 A ATOM 14 C LIG 1 4.444 2.906 -0.637 0.00 0.00 +0.033 A ATOM 15 C LIG 1 4.057 1.571 -0.680 0.00 0.00 +0.042 A ATOM 16 C LIG 1 4.493 0.690 0.311 0.00 0.00 +0.056 A BRANCH 11 18 ATOM 17 C LIG 1 6.531 0.862 3.373 0.00 0.00 +0.127 C ATOM 18 N LIG 1 5.682 0.274 2.347 0.00 0.00 -0.332 N ATOM 19 H LIG 1 6.129 -0.529 1.913 0.00 0.00 +0.147 HD ENDBRANCH 11 18 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -1.594 -2.889 -1.848 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 -2.797 -2.129 -1.523 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -2.935 -1.377 -2.193 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.910 -1.606 -0.219 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -4.046 -0.838 0.121 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -4.103 -0.338 1.437 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -5.221 0.448 1.790 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -6.251 0.715 0.868 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -6.195 0.204 -0.418 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -3.116 -0.620 2.317 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -2.105 -1.389 1.899 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -5.102 -0.568 -0.787 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -1.954 -1.895 0.677 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -5.405 1.050 3.149 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -6.402 1.708 3.430 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -4.435 0.855 4.086 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -4.564 1.235 5.012 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -3.620 0.284 3.881 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 7