REMARK Name = BDB024424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.744 -2.092 -0.032 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.884 -2.777 -1.384 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.905 -2.044 -2.582 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.030 -2.693 -3.812 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.151 -4.080 -3.860 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.155 -4.819 -2.679 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.027 -4.173 -1.448 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.637 -1.537 -0.136 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.711 -2.534 -0.277 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.636 -0.994 -0.062 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.931 0.200 -0.036 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.251 0.555 -0.154 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.017 1.173 0.012 0.00 0.00 +0.121 A ATOM 14 N LIG 1 1.826 0.523 0.024 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 1.831 -0.807 -0.145 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.014 -1.517 -0.320 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.232 -0.829 -0.326 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 7.683 4.066 0.606 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.004 2.861 0.193 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.682 1.918 -0.483 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.766 0.969 -0.697 0.00 0.00 +0.143 A ATOM 22 C LIG 1 5.499 1.296 -0.159 0.00 0.00 +0.021 A ATOM 23 C LIG 1 5.697 2.536 0.415 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -3.046 -1.510 0.372 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -3.067 -0.575 -0.048 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.136 -1.353 1.833 0.00 0.00 +0.088 C BRANCH 26 27 ATOM 27 C LIG 1 -4.471 -0.725 2.259 0.00 0.00 +0.070 C BRANCH 27 28 ATOM 28 C LIG 1 -4.514 0.761 2.017 0.00 0.00 +0.043 A ATOM 29 N LIG 1 -4.014 1.556 2.995 0.00 0.00 -0.259 NA ATOM 30 C LIG 1 -4.002 2.892 2.768 0.00 0.00 +0.129 A ATOM 31 C LIG 1 -4.477 3.483 1.608 0.00 0.00 +0.070 A ATOM 32 C LIG 1 -4.998 2.652 0.618 0.00 0.00 +0.022 A ATOM 33 C LIG 1 -5.018 1.274 0.823 0.00 0.00 +0.024 A BRANCH 31 34 ATOM 34 C LIG 1 -4.433 4.900 1.444 0.00 0.00 +0.101 C ATOM 35 N LIG 1 -4.404 6.053 1.315 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9