REMARK Name = BDB008136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.205 -0.324 0.140 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.109 0.331 0.692 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.148 0.053 -0.257 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.469 -0.350 -1.131 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 0.851 0.466 1.888 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.549 0.422 0.140 0.00 0.00 +0.159 C BRANCH 6 9 ATOM 7 C LIG 1 4.104 3.189 2.195 0.00 0.00 +0.109 C ATOM 8 C LIG 1 3.479 2.531 0.995 0.00 0.00 +0.211 C ATOM 9 N LIG 1 3.344 1.166 1.114 0.00 0.00 -0.304 N ATOM 10 H LIG 1 3.288 0.811 2.063 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 3.123 3.170 0.011 0.00 0.00 -0.276 OA ENDBRANCH 6 9 BRANCH 6 12 ATOM 12 C LIG 1 3.104 -0.995 -0.067 0.00 0.00 +0.034 C BRANCH 12 13 ATOM 13 C LIG 1 4.548 -1.047 -0.606 0.00 0.00 -0.015 C ATOM 14 C LIG 1 4.683 -0.382 -1.976 0.00 0.00 +0.007 C ATOM 15 C LIG 1 5.015 -2.503 -0.690 0.00 0.00 +0.007 C ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 16 ATOM 16 C LIG 1 -1.272 -1.868 0.132 0.00 0.00 +0.234 C ATOM 17 N LIG 1 -2.355 -2.403 0.800 0.00 0.00 -0.303 N ATOM 18 H LIG 1 -3.156 -1.792 0.922 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 -0.435 -2.562 -0.448 0.00 0.00 -0.274 OA BRANCH 17 20 ATOM 20 C LIG 1 -2.676 -3.817 0.650 0.00 0.00 +0.156 C ATOM 21 C LIG 1 -3.359 -4.349 1.901 0.00 0.00 +0.038 C BRANCH 20 22 ATOM 22 C LIG 1 -3.609 -3.971 -0.565 0.00 0.00 +0.231 C ATOM 23 O LIG 1 -4.273 -3.047 -1.030 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 -3.718 -5.232 -1.077 0.00 0.00 -0.328 N ATOM 25 H LIG 1 -4.255 -5.309 -1.933 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 -2.975 -5.906 -0.945 0.00 0.00 +0.145 HD ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 1 16 BRANCH 1 27 ATOM 27 C LIG 1 -2.247 0.257 -0.822 0.00 0.00 +0.033 C BRANCH 27 28 ATOM 28 C LIG 1 -2.170 1.777 -1.010 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 -2.233 2.564 0.299 0.00 0.00 +0.115 C BRANCH 29 30 ATOM 30 N LIG 1 -2.333 3.989 0.024 0.00 0.00 -0.356 N ATOM 31 H LIG 1 -1.722 4.545 0.612 0.00 0.00 +0.162 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.523 4.585 -0.213 0.00 0.00 +0.188 C ATOM 33 N LIG 1 -4.644 3.978 -0.343 0.00 0.00 -0.269 NA ATOM 34 H LIG 1 -5.387 4.659 -0.496 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 -3.388 5.922 -0.314 0.00 0.00 -0.370 N ATOM 36 H LIG 1 -2.520 6.183 -0.769 0.00 0.00 +0.159 HD ATOM 37 H LIG 1 -4.171 6.390 -0.749 0.00 0.00 +0.159 HD ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 14