REMARK Name = BDB004964 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.444 1.613 -1.350 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.639 1.478 -0.471 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.731 2.363 -0.517 0.00 0.00 -0.029 A ATOM 4 C LIG 1 1.732 3.389 -1.468 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.660 3.528 -2.347 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.422 2.645 -2.288 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.681 0.653 -1.935 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -1.490 0.674 -1.232 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -1.373 -0.013 -0.499 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.075 1.484 -2.743 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 -5.785 -1.355 -1.331 0.00 0.00 +0.119 A ATOM 12 N LIG 1 -5.309 -2.588 -1.074 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -3.972 -2.774 -1.109 0.00 0.00 +0.113 A ATOM 14 C LIG 1 -3.063 -1.770 -1.374 0.00 0.00 +0.033 A ATOM 15 C LIG 1 -3.571 -0.497 -1.623 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -4.951 -0.289 -1.622 0.00 0.00 +0.056 A BRANCH 11 17 ATOM 17 N LIG 1 -7.170 -1.240 -1.304 0.00 0.00 -0.327 N ATOM 18 H LIG 1 -7.508 -2.176 -1.078 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -7.724 -0.220 -0.413 0.00 0.00 +0.131 C BRANCH 19 20 ATOM 20 C LIG 1 -7.513 -0.548 1.074 0.00 0.00 +0.178 C BRANCH 20 22 ATOM 21 C LIG 1 -9.475 0.279 2.136 0.00 0.00 +0.194 C ATOM 22 O LIG 1 -8.079 0.449 1.929 0.00 0.00 -0.381 OA ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 2.892 2.184 0.435 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 3.624 0.982 0.051 0.00 0.00 -0.324 N ATOM 25 H LIG 1 3.907 1.035 -0.923 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 4.754 0.692 0.845 0.00 0.00 +0.130 A ATOM 27 C LIG 1 5.542 -0.439 0.541 0.00 0.00 +0.041 A ATOM 28 C LIG 1 6.662 -0.668 1.365 0.00 0.00 +0.088 A ATOM 29 C LIG 1 7.471 -1.786 1.070 0.00 0.00 +0.063 A ATOM 30 C LIG 1 7.166 -2.648 -0.002 0.00 0.00 +0.015 A ATOM 31 C LIG 1 6.054 -2.422 -0.796 0.00 0.00 +0.002 A ATOM 32 N LIG 1 6.929 0.163 2.398 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 6.097 1.189 2.612 0.00 0.00 +0.223 A ATOM 34 C LIG 1 5.247 -1.326 -0.524 0.00 0.00 +0.013 A ATOM 35 N LIG 1 5.022 1.492 1.887 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 8.694 -2.144 1.855 0.00 0.00 +0.244 C ATOM 37 O LIG 1 9.363 -3.136 1.584 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 9.061 -1.341 2.893 0.00 0.00 -0.325 N ATOM 39 H LIG 1 8.502 -0.532 3.149 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 9.871 -1.588 3.442 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10