REMARK Name = BDB000363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.608 0.046 0.597 0.00 0.00 -0.003 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.374 -1.417 0.113 0.00 0.00 -0.014 C ATOM 3 C LIG 1 0.549 -2.232 1.022 0.00 0.00 +0.007 C ATOM 4 C LIG 1 -1.675 -2.192 -0.134 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 0.659 0.955 0.484 0.00 0.00 +0.025 C BRANCH 5 6 ATOM 6 C LIG 1 1.339 1.137 -0.897 0.00 0.00 +0.080 C BRANCH 6 7 ATOM 7 N LIG 1 0.353 1.187 -1.998 0.00 0.00 -0.325 NA ATOM 8 H LIG 1 -0.376 1.865 -1.764 0.00 0.00 +0.119 HD ATOM 9 H LIG 1 0.821 1.580 -2.818 0.00 0.00 +0.119 HD ENDBRANCH 6 7 BRANCH 6 10 ATOM 10 C LIG 1 2.474 0.112 -1.196 0.00 0.00 +0.132 C BRANCH 10 11 ATOM 11 O LIG 1 2.779 0.170 -2.598 0.00 0.00 -0.390 OA ATOM 12 H LIG 1 1.953 -0.121 -3.033 0.00 0.00 +0.210 HD ENDBRANCH 10 11 BRANCH 10 13 ATOM 13 C LIG 1 3.764 0.414 -0.418 0.00 0.00 +0.045 C BRANCH 13 14 ATOM 14 C LIG 1 4.723 -0.790 -0.339 0.00 0.00 +0.074 C ATOM 15 C LIG 1 5.256 -1.262 -1.691 0.00 0.00 +0.017 C BRANCH 14 16 ATOM 16 C LIG 1 5.870 -0.475 0.616 0.00 0.00 +0.216 C ATOM 17 N LIG 1 6.723 0.528 0.204 0.00 0.00 -0.315 N ATOM 18 H LIG 1 6.701 0.787 -0.775 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 5.995 -1.065 1.687 0.00 0.00 -0.276 OA BRANCH 17 20 ATOM 20 C LIG 1 7.914 0.836 0.971 0.00 0.00 +0.104 C BRANCH 20 21 ATOM 21 C LIG 1 8.585 2.129 0.513 0.00 0.00 +0.018 C BRANCH 21 22 ATOM 22 C LIG 1 9.310 1.970 -0.826 0.00 0.00 -0.002 C ATOM 23 C LIG 1 10.004 3.262 -1.236 0.00 0.00 +0.004 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 6 10 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 24 ATOM 24 C LIG 1 -1.137 0.170 2.057 0.00 0.00 +0.039 C BRANCH 24 29 ATOM 25 C LIG 1 -4.935 -0.039 1.806 0.00 0.00 +0.162 A ATOM 26 C LIG 1 -5.249 -1.061 2.713 0.00 0.00 +0.162 A ATOM 27 C LIG 1 -4.205 -1.666 3.416 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -2.878 -1.263 3.207 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -2.568 -0.253 2.285 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -3.616 0.378 1.608 0.00 0.00 +0.053 A BRANCH 26 31 ATOM 31 O LIG 1 -6.573 -1.387 2.828 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -6.924 -2.321 3.837 0.00 0.00 +0.277 C ENDBRANCH 26 31 BRANCH 25 33 ATOM 33 O LIG 1 -5.922 0.636 1.131 0.00 0.00 -0.488 OA BRANCH 33 34 ATOM 34 C LIG 1 -6.176 0.013 -0.139 0.00 0.00 +0.229 C BRANCH 34 35 ATOM 35 C LIG 1 -6.462 1.131 -1.140 0.00 0.00 +0.041 C BRANCH 35 36 ATOM 36 C LIG 1 -6.618 0.650 -2.583 0.00 0.00 +0.003 C BRANCH 36 38 ATOM 37 C LIG 1 -9.123 0.191 -2.442 0.00 0.00 +0.004 C ATOM 38 C LIG 1 -7.755 -0.342 -2.836 0.00 0.00 -0.003 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 24 29 ENDBRANCH 1 24 TORSDOF 20