REMARK Name = BDB014436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.691 -0.799 1.140 0.00 0.00 +0.251 C ATOM 2 N LIG 1 -0.127 -1.785 1.668 0.00 0.00 -0.310 N ATOM 3 H LIG 1 0.294 -2.675 1.903 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.255 0.136 0.473 0.00 0.00 -0.272 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 2.171 -1.001 1.477 0.00 0.00 +0.324 C BRANCH 5 6 ATOM 6 O LIG 1 2.979 -0.020 0.845 0.00 0.00 -0.483 OA BRANCH 6 13 ATOM 7 C LIG 1 7.259 2.936 -0.708 0.00 0.00 +0.150 C ATOM 8 N LIG 1 7.435 1.787 0.144 0.00 0.00 -0.333 N ATOM 9 C LIG 1 6.440 0.963 0.605 0.00 0.00 +0.072 A ATOM 10 C LIG 1 7.113 0.022 1.378 0.00 0.00 +0.089 A ATOM 11 C LIG 1 6.382 -0.991 2.014 0.00 0.00 +0.033 A ATOM 12 C LIG 1 4.987 -1.029 1.853 0.00 0.00 +0.048 A ATOM 13 C LIG 1 4.329 -0.075 1.071 0.00 0.00 +0.123 A ATOM 14 N LIG 1 8.465 0.265 1.385 0.00 0.00 -0.236 NA ATOM 15 C LIG 1 5.051 0.942 0.431 0.00 0.00 +0.073 A ATOM 16 C LIG 1 8.625 1.332 0.635 0.00 0.00 +0.200 A ENDBRANCH 6 13 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 17 ATOM 17 C LIG 1 -1.545 -1.831 1.333 0.00 0.00 +0.136 C BRANCH 17 18 ATOM 18 C LIG 1 -1.770 -2.364 -0.091 0.00 0.00 +0.145 C BRANCH 18 19 ATOM 19 O LIG 1 -1.192 -3.683 -0.175 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -1.218 -3.941 -1.113 0.00 0.00 +0.210 HD ENDBRANCH 18 19 BRANCH 18 21 ATOM 21 C LIG 1 -3.270 -2.451 -0.454 0.00 0.00 +0.117 C BRANCH 21 22 ATOM 22 N LIG 1 -4.043 -1.206 -0.332 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -3.518 -0.141 -1.213 0.00 0.00 +0.120 C ATOM 24 C LIG 1 -4.395 1.093 -1.279 0.00 0.00 -0.030 A ATOM 25 C LIG 1 -5.745 1.048 -0.892 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -6.539 2.199 -0.992 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -6.002 3.383 -1.496 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.668 3.428 -1.896 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -6.314 -0.217 -0.307 0.00 0.00 +0.051 C ATOM 30 C LIG 1 -3.869 2.289 -1.790 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.463 -1.449 -0.639 0.00 0.00 +0.089 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 2 17 TORSDOF 8