REMARK Name = BDB057807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.735 0.559 0.910 0.00 0.00 +0.025 A ATOM 2 C LIG 1 -1.477 -0.500 0.372 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -0.747 -1.437 -0.370 0.00 0.00 +0.025 A ATOM 4 C LIG 1 0.649 -1.349 -0.527 0.00 0.00 +0.025 A ATOM 5 C LIG 1 1.385 -0.310 0.045 0.00 0.00 +0.030 A ATOM 6 C LIG 1 0.657 0.650 0.755 0.00 0.00 +0.025 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -2.860 -0.566 0.525 0.00 0.00 -0.330 N ATOM 8 C LIG 1 -3.458 -0.207 1.812 0.00 0.00 +0.106 C ATOM 9 C LIG 1 -4.773 0.537 1.573 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -5.510 0.087 0.290 0.00 0.00 +0.060 C ATOM 11 C LIG 1 -5.147 -1.376 -0.011 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -3.641 -1.527 -0.264 0.00 0.00 +0.106 C BRANCH 10 13 ATOM 13 N LIG 1 -6.969 0.302 0.425 0.00 0.00 -0.299 NA ATOM 14 C LIG 1 -7.733 -0.077 -0.769 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -9.078 0.615 -0.587 0.00 0.00 +0.017 C ATOM 16 C LIG 1 -8.822 1.732 0.413 0.00 0.00 +0.017 C ATOM 17 C LIG 1 -7.321 1.711 0.647 0.00 0.00 +0.085 C ENDBRANCH 10 13 ENDBRANCH 2 7 BRANCH 5 18 ATOM 18 N LIG 1 2.779 -0.171 -0.083 0.00 0.00 -0.330 N ATOM 19 C LIG 1 3.436 -0.917 -1.164 0.00 0.00 +0.106 C ATOM 20 C LIG 1 4.858 -0.393 -1.367 0.00 0.00 +0.038 C ATOM 21 C LIG 1 5.658 -0.488 -0.056 0.00 0.00 +0.060 C ATOM 22 C LIG 1 4.914 0.277 1.052 0.00 0.00 +0.038 C ATOM 23 C LIG 1 3.486 -0.241 1.210 0.00 0.00 +0.106 C BRANCH 21 24 ATOM 24 N LIG 1 7.063 -0.056 -0.117 0.00 0.00 -0.299 NA ATOM 25 C LIG 1 7.933 -0.924 -0.908 0.00 0.00 +0.085 C ATOM 26 C LIG 1 9.234 -0.137 -0.972 0.00 0.00 +0.017 C ATOM 27 C LIG 1 8.832 1.318 -0.753 0.00 0.00 +0.017 C ATOM 28 C LIG 1 7.317 1.297 -0.606 0.00 0.00 +0.085 C ENDBRANCH 21 24 ENDBRANCH 5 18 TORSDOF 4