REMARK Name = BDB038658 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.272 -0.654 0.180 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.462 -1.437 1.257 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.684 -1.948 1.547 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.771 -1.650 0.732 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.621 -0.805 -0.372 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -3.336 -0.321 -0.650 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.510 1.001 -0.357 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.607 0.294 0.453 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.282 0.246 0.058 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.145 -0.414 0.717 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.973 -0.169 -0.084 0.00 0.00 -0.248 N ATOM 12 C LIG 1 -0.639 0.628 -1.249 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.276 -1.017 1.765 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 0.825 0.864 -1.099 0.00 0.00 -0.018 A ATOM 15 C LIG 1 1.697 1.565 -1.913 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.044 1.631 -1.535 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 4.973 1.086 0.036 0.00 0.00 +0.119 C BRANCH 17 19 ATOM 18 C LIG 1 5.883 -0.745 -1.294 0.00 0.00 +0.105 C ATOM 19 N LIG 1 5.627 -0.225 0.038 0.00 0.00 -0.301 NA BRANCH 19 20 ATOM 20 C LIG 1 6.745 -0.341 0.977 0.00 0.00 +0.088 C BRANCH 20 21 ATOM 21 C LIG 1 8.136 0.262 0.705 0.00 0.00 +0.003 C ATOM 22 C LIG 1 9.052 -0.529 -0.233 0.00 0.00 +0.005 C ATOM 23 C LIG 1 10.105 0.474 -0.717 0.00 0.00 +0.000 C ATOM 24 C LIG 1 9.685 1.835 -0.168 0.00 0.00 +0.000 C ATOM 25 C LIG 1 8.204 1.679 0.148 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -5.776 -0.421 -1.210 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -6.955 0.166 -0.685 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -8.032 0.465 -1.542 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -7.949 0.216 -2.914 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.788 -0.347 -3.441 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.719 -0.665 -2.598 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -7.146 0.444 0.740 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -6.430 1.321 1.518 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -5.375 2.216 1.130 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -6.942 1.220 2.777 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -7.934 0.364 2.780 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -8.073 -0.112 1.499 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -9.050 0.538 -3.775 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.929 0.808 -4.482 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -3.781 -2.815 2.786 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -4.988 -2.766 3.693 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -4.720 -3.994 2.871 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 9