REMARK Name = BDB022407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.617 -2.831 -1.735 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.514 -2.118 -1.223 0.00 0.00 +0.014 A ATOM 3 C LIG 1 0.184 -2.473 -1.524 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -0.011 -3.590 -2.354 0.00 0.00 +0.010 A ATOM 5 C LIG 1 1.068 -4.305 -2.878 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.373 -3.924 -2.575 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.971 -1.715 -0.996 0.00 0.00 +0.071 A ATOM 8 N LIG 1 -2.103 -2.432 -0.779 0.00 0.00 -0.253 NA ATOM 9 C LIG 1 -3.182 -1.773 -0.290 0.00 0.00 +0.134 A ATOM 10 C LIG 1 -3.221 -0.413 0.002 0.00 0.00 +0.052 A ATOM 11 C LIG 1 -2.058 0.307 -0.238 0.00 0.00 +0.027 A ATOM 12 C LIG 1 -0.927 -0.344 -0.740 0.00 0.00 +0.030 A BRANCH 10 13 ATOM 13 N LIG 1 -4.419 0.142 0.498 0.00 0.00 -0.281 N ATOM 14 H LIG 1 -5.194 -0.497 0.614 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 -4.628 1.444 0.898 0.00 0.00 +0.241 C ATOM 16 O LIG 1 -3.798 2.340 0.976 0.00 0.00 -0.271 OA BRANCH 15 17 ATOM 17 C LIG 1 -6.021 1.716 1.339 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -7.114 1.238 0.717 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -8.545 1.532 1.087 0.00 0.00 +0.111 C BRANCH 19 20 ATOM 20 N LIG 1 -8.733 2.128 2.416 0.00 0.00 -0.305 NA ATOM 21 C LIG 1 -8.657 1.114 3.473 0.00 0.00 +0.104 C ATOM 22 C LIG 1 -10.026 2.813 2.487 0.00 0.00 +0.104 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 4.877 -3.543 -0.822 0.00 0.00 +0.022 C ATOM 24 C LIG 1 4.035 -2.386 -1.371 0.00 0.00 +0.102 C BRANCH 24 25 ATOM 25 C LIG 1 4.766 -1.726 -2.546 0.00 0.00 +0.225 C ATOM 26 N LIG 1 5.701 -0.750 -2.362 0.00 0.00 -0.268 N ATOM 27 H LIG 1 6.084 -0.410 -3.233 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 4.568 -2.074 -3.718 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 C LIG 1 6.185 -0.169 -1.215 0.00 0.00 +0.147 A ATOM 30 N LIG 1 5.843 -0.495 0.033 0.00 0.00 -0.158 NA ATOM 31 N LIG 1 6.568 0.326 0.809 0.00 0.00 -0.280 N ATOM 32 H LIG 1 6.472 0.256 1.817 0.00 0.00 +0.189 HD ATOM 33 C LIG 1 7.354 1.178 0.098 0.00 0.00 +0.041 A ATOM 34 C LIG 1 7.144 0.877 -1.223 0.00 0.00 +0.068 A BRANCH 33 35 ATOM 35 C LIG 1 8.309 2.246 0.667 0.00 0.00 +0.037 C ATOM 36 C LIG 1 8.052 3.694 0.343 0.00 0.00 +0.010 C ATOM 37 C LIG 1 7.807 3.184 1.733 0.00 0.00 +0.010 C ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9