REMARK Name = BDB015996 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.502 -0.357 0.249 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.231 -0.078 0.602 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.636 -1.101 0.746 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.233 -2.426 0.577 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.091 -2.602 0.218 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.972 -1.598 0.040 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.665 1.647 -0.500 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.769 0.579 -0.326 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.431 0.778 0.073 0.00 0.00 +0.020 A ATOM 10 C LIG 1 2.018 2.106 0.294 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.894 3.180 0.123 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.210 2.951 -0.273 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 9.129 -0.427 -1.172 0.00 0.00 +0.172 C ATOM 14 N LIG 1 8.009 0.482 -1.194 0.00 0.00 -0.274 N ATOM 15 N LIG 1 8.138 1.674 -1.803 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.941 2.241 -1.631 0.00 0.00 +0.142 A ATOM 17 C LIG 1 6.040 1.418 -0.914 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.776 0.282 -0.645 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.105 -3.568 0.772 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -1.167 -4.670 -0.057 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -2.115 -5.495 0.477 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -2.548 -6.772 -0.037 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -2.673 -5.011 1.600 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -2.055 -3.841 1.782 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.959 -0.804 1.118 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.618 -1.358 0.577 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.338 0.605 1.232 0.00 0.00 +0.107 C BRANCH 27 28 ATOM 28 C LIG 1 -2.540 1.278 -0.136 0.00 0.00 +0.023 C ATOM 29 C LIG 1 -3.874 0.909 -0.781 0.00 0.00 +0.114 C ATOM 30 N LIG 1 -4.865 1.828 -0.156 0.00 0.00 -0.181 NA ATOM 31 C LIG 1 -4.136 3.007 0.381 0.00 0.00 +0.109 C ATOM 32 C LIG 1 -2.679 2.793 -0.012 0.00 0.00 +0.023 C BRANCH 30 33 ATOM 33 S LIG 1 -6.255 2.112 -1.081 0.00 0.00 +0.029 S ATOM 34 O LIG 1 -5.940 3.144 -2.044 0.00 0.00 -0.158 OA ATOM 35 O LIG 1 -6.766 0.825 -1.502 0.00 0.00 -0.158 OA ATOM 36 C LIG 1 -7.370 2.776 0.138 0.00 0.00 +0.215 C ENDBRANCH 30 33 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7