REMARK Name = BDB024296 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.506 -1.269 0.850 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.319 -2.281 -0.276 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.735 -3.618 -0.147 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.566 -4.522 -1.198 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.987 -4.103 -2.394 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.581 -2.779 -2.542 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.750 -1.874 -1.493 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.304 -1.768 2.599 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.458 -2.223 3.487 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.999 -1.834 2.209 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.784 -2.390 2.996 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.710 -0.113 0.785 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.420 -0.031 0.257 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.288 -0.547 0.811 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.412 -1.209 1.966 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.642 -1.352 2.591 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.784 -0.803 1.996 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 6.176 1.837 -1.163 0.00 0.00 +0.137 C ATOM 19 C LIG 1 4.761 1.247 -1.038 0.00 0.00 +0.136 C ATOM 20 N LIG 1 4.811 0.434 0.180 0.00 0.00 -0.326 N ATOM 21 C LIG 1 6.188 0.252 0.632 0.00 0.00 +0.108 C ATOM 22 C LIG 1 7.034 0.743 -0.538 0.00 0.00 +0.052 C BRANCH 18 24 ATOM 23 C LIG 1 7.727 2.787 -2.687 0.00 0.00 +0.194 C ATOM 24 O LIG 1 6.503 2.082 -2.527 0.00 0.00 -0.378 OA ENDBRANCH 18 24 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.960 -0.944 0.955 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -3.393 -1.728 1.450 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.193 0.290 1.715 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -4.683 0.722 1.790 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -5.611 -0.399 2.272 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -5.198 1.354 0.503 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -5.240 0.642 -0.705 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.717 1.241 -1.874 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.164 2.563 -1.852 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -6.132 3.283 -0.655 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.653 2.682 0.513 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.652 3.180 -3.050 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -7.049 3.685 -4.018 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10