REMARK Name = BDB024494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.540 -0.994 0.324 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.662 0.051 0.672 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.324 1.350 0.900 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.804 1.960 -0.428 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.467 2.336 1.688 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.129 2.521 1.006 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.461 1.186 0.837 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.048 1.115 0.810 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.139 2.140 0.871 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.054 1.585 0.809 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.945 0.205 0.733 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.400 -0.109 0.722 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.112 -1.304 0.659 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.514 -1.224 0.663 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.216 -0.009 0.702 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.757 -0.931 0.492 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.059 -0.731 0.634 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.130 -1.426 -0.738 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.182 -2.546 -0.780 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.167 -2.498 0.391 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.453 -2.534 1.746 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.136 -1.748 1.778 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.932 -2.595 -2.097 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.991 -3.600 -2.791 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.568 -1.456 -2.438 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.442 -0.694 -1.840 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 5.867 -3.082 -0.701 0.00 0.00 +0.282 C ATOM 28 O LIG 1 4.957 -2.060 -0.291 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.341 2.362 0.838 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -3.194 2.234 -0.409 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -2.632 2.345 -1.690 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -3.431 2.225 -2.827 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.803 2.017 -2.700 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.379 1.933 -1.435 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.581 2.045 -0.295 0.00 0.00 +0.004 A ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6