REMARK Name = BDB005006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.106 -1.246 2.161 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.037 -1.921 1.730 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.966 -2.438 2.650 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.737 -2.265 4.021 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.404 -1.598 4.461 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.319 -1.091 3.536 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.090 -0.749 -0.091 0.00 0.00 +0.248 C ATOM 8 N LIG 1 2.067 -0.688 1.291 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.853 -0.237 1.740 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 1.317 -1.358 -0.820 0.00 0.00 -0.270 OA BRANCH 7 16 ATOM 11 C LIG 1 7.083 3.007 -2.550 0.00 0.00 +0.149 C ATOM 12 N LIG 1 6.378 1.756 -2.720 0.00 0.00 -0.350 N ATOM 13 C LIG 1 5.324 1.328 -1.938 0.00 0.00 +0.049 A ATOM 14 C LIG 1 4.929 0.084 -2.439 0.00 0.00 +0.001 A ATOM 15 C LIG 1 3.855 -0.591 -1.827 0.00 0.00 +0.023 A ATOM 16 C LIG 1 3.217 -0.009 -0.722 0.00 0.00 +0.038 A ATOM 17 C LIG 1 3.618 1.245 -0.248 0.00 0.00 +0.015 A ATOM 18 C LIG 1 5.779 -0.219 -3.537 0.00 0.00 +0.027 A ATOM 19 C LIG 1 4.681 1.932 -0.846 0.00 0.00 +0.027 A ATOM 20 C LIG 1 6.662 0.826 -3.685 0.00 0.00 +0.086 A ENDBRANCH 7 16 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -2.218 -3.135 2.160 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 -3.344 -2.203 2.095 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -3.271 -1.515 2.839 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.525 -1.515 0.874 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -4.541 -0.541 0.768 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -4.640 0.137 -0.463 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -5.637 1.129 -0.582 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -6.511 1.422 0.483 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -6.417 0.737 1.683 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -3.802 -0.163 -1.480 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -2.900 -1.132 -1.282 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -5.439 -0.238 1.823 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -2.741 -1.832 -0.163 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -5.846 1.937 -1.825 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -6.705 2.812 -1.886 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -5.055 1.686 -2.906 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -4.323 0.981 -2.862 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -5.174 2.236 -3.744 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 6