REMARK Name = BDB000386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.095 0.920 -1.659 0.00 0.00 +0.080 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 1.901 0.902 -2.900 0.00 0.00 -0.325 NA ATOM 3 H LIG 1 2.174 -0.075 -3.059 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 1.319 1.158 -3.696 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 -0.268 0.265 -1.963 0.00 0.00 +0.025 C BRANCH 5 6 ATOM 6 C LIG 1 -1.317 0.187 -0.816 0.00 0.00 -0.003 C BRANCH 6 7 ATOM 7 C LIG 1 -1.806 1.556 -0.238 0.00 0.00 -0.014 C ATOM 8 C LIG 1 -2.120 2.608 -1.303 0.00 0.00 +0.007 C ATOM 9 C LIG 1 -0.871 2.138 0.830 0.00 0.00 +0.007 C ENDBRANCH 6 7 BRANCH 6 10 ATOM 10 C LIG 1 -2.518 -0.647 -1.362 0.00 0.00 +0.039 C BRANCH 10 11 ATOM 11 C LIG 1 -3.556 -1.032 -0.331 0.00 0.00 -0.043 A ATOM 12 C LIG 1 -4.844 -0.478 -0.379 0.00 0.00 +0.053 A ATOM 13 C LIG 1 -5.813 -0.822 0.571 0.00 0.00 +0.162 A ATOM 14 C LIG 1 -5.497 -1.753 1.579 0.00 0.00 +0.162 A ATOM 15 C LIG 1 -4.210 -2.304 1.631 0.00 0.00 +0.049 A ATOM 16 C LIG 1 -3.248 -1.946 0.683 0.00 0.00 +0.007 A BRANCH 14 17 ATOM 17 O LIG 1 -6.501 -2.041 2.472 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -6.276 -3.102 3.389 0.00 0.00 +0.277 C ENDBRANCH 14 17 BRANCH 13 19 ATOM 19 O LIG 1 -7.091 -0.321 0.592 0.00 0.00 -0.488 OA BRANCH 19 20 ATOM 20 C LIG 1 -7.389 0.769 -0.277 0.00 0.00 +0.231 C BRANCH 20 21 ATOM 21 C LIG 1 -8.814 1.237 -0.001 0.00 0.00 +0.069 C BRANCH 21 22 ATOM 22 C LIG 1 -9.841 0.154 -0.320 0.00 0.00 +0.163 C BRANCH 22 23 ATOM 23 O LIG 1 -11.169 0.672 -0.226 0.00 0.00 -0.383 OA ATOM 24 C LIG 1 -11.673 0.664 1.104 0.00 0.00 +0.193 C ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 10 11 ENDBRANCH 6 10 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 25 ATOM 25 C LIG 1 1.877 0.212 -0.512 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 O LIG 1 2.087 -1.155 -0.874 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 2.802 -1.543 -0.333 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.178 0.965 -0.145 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 4.461 0.456 -0.823 0.00 0.00 +0.074 C ATOM 30 C LIG 1 5.449 1.596 -1.085 0.00 0.00 +0.017 C BRANCH 29 33 ATOM 31 N LIG 1 5.840 -0.254 1.090 0.00 0.00 -0.315 N ATOM 32 H LIG 1 5.994 0.729 1.254 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 5.067 -0.657 0.029 0.00 0.00 +0.216 C ATOM 34 O LIG 1 4.772 -1.835 -0.169 0.00 0.00 -0.276 OA BRANCH 31 35 ATOM 35 C LIG 1 6.505 -1.200 1.964 0.00 0.00 +0.104 C BRANCH 35 36 ATOM 36 C LIG 1 7.838 -1.691 1.395 0.00 0.00 +0.028 C BRANCH 36 37 ATOM 37 C LIG 1 8.813 -0.543 1.129 0.00 0.00 +0.097 C BRANCH 37 41 ATOM 38 C LIG 1 12.379 -0.289 -0.088 0.00 0.00 +0.128 C ATOM 39 N LIG 1 11.045 -0.009 0.385 0.00 0.00 -0.318 N ATOM 40 H LIG 1 10.642 0.894 0.169 0.00 0.00 +0.148 HD ATOM 41 C LIG 1 10.200 -1.034 0.760 0.00 0.00 +0.213 C ATOM 42 O LIG 1 10.544 -2.210 0.810 0.00 0.00 -0.276 OA ENDBRANCH 37 41 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 21