REMARK Name = BDB024195 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.013 -1.564 -0.970 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.699 -3.025 -1.277 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.044 -3.812 -0.312 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.762 -5.158 -0.557 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.147 -5.741 -1.761 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.822 -4.984 -2.715 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.104 -3.638 -2.472 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.780 0.173 -2.374 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.927 0.893 -3.070 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.865 -0.635 -2.212 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -2.763 -0.524 -3.058 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.061 0.676 -0.772 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.336 1.611 -1.513 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.091 1.431 -2.030 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 0.479 0.258 -1.795 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.109 -0.756 -1.104 0.00 0.00 +0.045 A ATOM 17 C LIG 1 2.395 -0.538 -0.589 0.00 0.00 +0.028 A BRANCH 12 22 ATOM 18 C LIG 1 7.808 1.137 1.915 0.00 0.00 +0.105 C ATOM 19 N LIG 1 7.127 1.451 0.662 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 6.717 0.233 -0.065 0.00 0.00 +0.103 C ATOM 21 C LIG 1 5.236 -0.186 0.098 0.00 0.00 +0.120 C ATOM 22 N LIG 1 4.322 0.914 -0.260 0.00 0.00 -0.326 N ATOM 23 C LIG 1 4.880 2.277 -0.181 0.00 0.00 +0.120 C ATOM 24 C LIG 1 5.979 2.350 0.905 0.00 0.00 +0.103 C ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -3.392 -1.480 -0.421 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -3.514 -2.218 0.271 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.675 -0.176 0.183 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -5.121 -0.132 0.694 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.447 1.200 1.329 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.330 1.377 2.714 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.615 2.615 3.295 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.016 3.691 2.495 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.129 3.522 1.113 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.844 2.283 0.533 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.306 4.961 3.092 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.538 5.989 3.579 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9