REMARK Name = BDB044595 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.385 -0.531 0.527 0.00 0.00 +0.161 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.773 0.686 0.297 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.624 0.173 -0.252 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.365 0.416 -1.205 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 2.064 0.550 1.487 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.663 1.482 -0.683 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 4.796 0.246 -0.733 0.00 0.00 +0.214 C ATOM 8 N LIG 1 4.048 1.299 -0.243 0.00 0.00 -0.304 N ATOM 9 H LIG 1 4.222 1.542 0.727 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 4.435 -0.457 -1.669 0.00 0.00 -0.276 OA BRANCH 7 11 ATOM 11 C LIG 1 6.098 0.052 0.027 0.00 0.00 +0.098 C BRANCH 11 13 ATOM 12 C LIG 1 7.682 -0.412 -1.894 0.00 0.00 +0.008 C ATOM 13 C LIG 1 7.040 -0.973 -0.623 0.00 0.00 -0.008 C ATOM 14 C LIG 1 8.130 -1.384 0.368 0.00 0.00 +0.008 C ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 15 ATOM 15 C LIG 1 2.297 2.982 -0.761 0.00 0.00 +0.012 C ATOM 16 C LIG 1 0.961 3.212 -1.473 0.00 0.00 +0.009 C ATOM 17 C LIG 1 2.285 3.687 0.600 0.00 0.00 +0.009 C ENDBRANCH 6 15 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 -1.764 -0.030 0.048 0.00 0.00 +0.234 C ATOM 19 N LIG 1 -2.817 -0.357 0.874 0.00 0.00 -0.308 N ATOM 20 H LIG 1 -2.647 -0.913 1.703 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 -1.901 0.593 -1.004 0.00 0.00 -0.274 OA BRANCH 19 22 ATOM 22 C LIG 1 -4.214 -0.065 0.534 0.00 0.00 +0.102 C BRANCH 22 23 ATOM 23 C LIG 1 -4.787 1.030 1.477 0.00 0.00 +0.143 C BRANCH 23 24 ATOM 24 O LIG 1 -4.466 0.712 2.842 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -3.506 0.842 2.938 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.278 2.439 1.165 0.00 0.00 +0.128 C BRANCH 26 27 ATOM 27 C LIG 1 -4.980 3.041 -0.027 0.00 0.00 +0.213 C ATOM 28 O LIG 1 -4.422 3.297 -1.086 0.00 0.00 -0.276 OA ATOM 29 N LIG 1 -6.309 3.301 0.142 0.00 0.00 -0.329 N ATOM 30 H LIG 1 -6.718 3.392 1.063 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 -6.762 3.796 -0.618 0.00 0.00 +0.145 HD ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 BRANCH 22 32 ATOM 32 C LIG 1 -5.045 -1.362 0.656 0.00 0.00 +0.028 C BRANCH 32 33 ATOM 33 C LIG 1 -4.602 -2.509 -0.279 0.00 0.00 -0.015 C ATOM 34 C LIG 1 -5.434 -3.761 0.012 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -4.725 -2.140 -1.758 0.00 0.00 +0.007 C ENDBRANCH 32 33 ENDBRANCH 22 32 ENDBRANCH 19 22 ENDBRANCH 1 18 BRANCH 1 36 ATOM 36 C LIG 1 -0.270 -2.069 0.414 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -0.336 -2.567 -1.034 0.00 0.00 +0.009 C ATOM 38 C LIG 1 1.004 -2.591 1.084 0.00 0.00 +0.009 C ENDBRANCH 1 36 TORSDOF 15