REMARK Name = BDB032434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.476 0.667 -0.322 0.00 0.00 +0.215 A ATOM 2 N LIG 1 -1.801 1.643 0.551 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 -0.860 1.981 1.458 0.00 0.00 +0.115 A ATOM 4 C LIG 1 0.387 1.383 1.536 0.00 0.00 +0.025 A ATOM 5 C LIG 1 0.703 0.368 0.628 0.00 0.00 -0.024 A ATOM 6 C LIG 1 -0.255 0.010 -0.324 0.00 0.00 +0.072 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -2.383 0.259 -1.279 0.00 0.00 -0.476 OA BRANCH 7 8 ATOM 8 C LIG 1 -3.627 0.965 -1.274 0.00 0.00 +0.234 C BRANCH 8 13 ATOM 9 C LIG 1 -7.472 -0.558 1.819 0.00 0.00 +0.105 C ATOM 10 N LIG 1 -7.020 -1.105 0.553 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -6.960 -0.143 -0.566 0.00 0.00 +0.057 C ATOM 12 C LIG 1 -5.994 1.031 -0.311 0.00 0.00 +0.026 C ATOM 13 C LIG 1 -4.613 0.343 -0.279 0.00 0.00 +0.032 C ATOM 14 C LIG 1 -4.979 -1.129 -0.609 0.00 0.00 +0.011 C ATOM 15 C LIG 1 -6.160 -0.974 -1.565 0.00 0.00 +0.024 C ATOM 16 C LIG 1 -5.683 -1.723 0.623 0.00 0.00 +0.088 C ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 5 17 ATOM 17 C LIG 1 2.052 -0.304 0.667 0.00 0.00 +0.137 C BRANCH 17 18 ATOM 18 N LIG 1 3.073 0.652 0.264 0.00 0.00 -0.340 N ATOM 19 H LIG 1 2.770 1.231 -0.517 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 4.399 0.236 0.120 0.00 0.00 +0.028 A ATOM 21 C LIG 1 5.287 1.064 -0.584 0.00 0.00 +0.031 A ATOM 22 C LIG 1 6.654 0.755 -0.722 0.00 0.00 -0.011 A ATOM 23 C LIG 1 7.176 -0.404 -0.115 0.00 0.00 +0.022 A ATOM 24 C LIG 1 8.558 -0.667 -0.288 0.00 0.00 +0.124 A ATOM 25 N LIG 1 9.376 0.135 -0.995 0.00 0.00 -0.240 NA ATOM 26 C LIG 1 8.842 1.236 -1.556 0.00 0.00 +0.113 A ATOM 27 C LIG 1 6.288 -1.214 0.628 0.00 0.00 +0.014 A ATOM 28 C LIG 1 7.509 1.586 -1.450 0.00 0.00 +0.028 A ATOM 29 C LIG 1 4.931 -0.888 0.753 0.00 0.00 +0.023 A BRANCH 24 30 ATOM 30 N LIG 1 9.161 -1.799 0.284 0.00 0.00 -0.343 N ATOM 31 H LIG 1 8.703 -2.633 -0.066 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 9.047 -1.761 1.292 0.00 0.00 +0.144 HD ENDBRANCH 24 30 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 5 17 TORSDOF 7