REMARK Name = BDB039388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.894 0.963 -0.740 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.958 -0.037 0.215 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.939 -0.488 0.770 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.579 -0.454 0.489 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.725 0.362 -0.247 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.351 0.192 -0.168 0.00 0.00 +0.016 A ATOM 7 C LIG 1 0.824 -0.823 0.661 0.00 0.00 +0.001 A ATOM 8 C LIG 1 1.733 -1.625 1.404 0.00 0.00 +0.011 A ATOM 9 C LIG 1 3.118 -1.449 1.324 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.520 1.362 -1.017 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.774 1.448 0.588 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.666 1.500 0.058 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.775 2.479 0.409 0.00 0.00 -0.255 N ATOM 14 H LIG 1 8.071 3.084 1.162 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.502 2.683 -0.057 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.776 3.538 0.453 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.017 1.778 -1.190 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.143 1.026 -1.895 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.225 0.493 -0.973 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -0.634 -1.049 0.781 0.00 0.00 +0.072 A ATOM 21 N LIG 1 -1.059 -1.389 2.011 0.00 0.00 -0.245 NA ATOM 22 C LIG 1 -2.384 -1.615 2.146 0.00 0.00 +0.090 A ATOM 23 C LIG 1 -3.070 -1.960 3.334 0.00 0.00 +0.047 A ATOM 24 C LIG 1 -4.398 -2.099 3.009 0.00 0.00 +0.088 A ATOM 25 N LIG 1 -4.513 -1.894 1.662 0.00 0.00 -0.342 N ATOM 26 C LIG 1 -3.309 -1.519 1.100 0.00 0.00 +0.072 A ATOM 27 C LIG 1 -2.891 -1.115 -0.186 0.00 0.00 -0.006 A ATOM 28 C LIG 1 -1.499 -0.916 -0.306 0.00 0.00 +0.035 A BRANCH 25 29 ATOM 29 C LIG 1 -5.797 -2.091 0.948 0.00 0.00 +0.087 C ATOM 30 C LIG 1 -6.027 -3.272 0.031 0.00 0.00 +0.027 C ATOM 31 C LIG 1 -6.779 -3.183 1.321 0.00 0.00 +0.027 C ENDBRANCH 25 29 BRANCH 27 32 ATOM 32 C LIG 1 -3.768 -0.881 -1.396 0.00 0.00 +0.121 C BRANCH 32 33 ATOM 33 N LIG 1 -4.160 0.499 -1.677 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -4.961 1.165 -0.657 0.00 0.00 +0.085 C ATOM 35 C LIG 1 -4.954 2.629 -1.089 0.00 0.00 +0.017 C ATOM 36 C LIG 1 -3.855 2.737 -2.140 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -3.095 1.427 -2.031 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 7 20 TORSDOF 5