REMARK Name = BDB038613 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.888 -1.284 -0.079 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.191 -2.307 0.751 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.453 -2.433 1.234 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.440 -1.514 0.895 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.145 -0.445 0.045 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.840 -0.347 -0.452 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.695 -0.602 -2.275 0.00 0.00 -0.030 A ATOM 8 C LIG 1 2.419 -0.014 -2.252 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.423 -0.646 -1.527 0.00 0.00 +0.045 A ATOM 10 C LIG 1 0.023 -0.247 -1.333 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.559 -1.220 -0.533 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.386 -2.262 -0.152 0.00 0.00 +0.154 C ATOM 13 O LIG 1 -0.441 0.771 -1.814 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.635 -1.829 -0.833 0.00 0.00 +0.018 A ATOM 15 C LIG 1 2.877 -2.416 -0.853 0.00 0.00 +0.129 A ATOM 16 F LIG 1 3.100 -3.556 -0.190 0.00 0.00 -0.205 F ATOM 17 C LIG 1 3.910 -1.811 -1.571 0.00 0.00 +0.043 A BRANCH 7 18 ATOM 18 C LIG 1 4.828 0.048 -3.045 0.00 0.00 +0.119 C BRANCH 18 20 ATOM 19 C LIG 1 4.893 2.212 -1.923 0.00 0.00 +0.105 C ATOM 20 N LIG 1 5.649 1.026 -2.311 0.00 0.00 -0.301 NA BRANCH 20 21 ATOM 21 C LIG 1 6.395 0.424 -1.196 0.00 0.00 +0.088 C BRANCH 21 22 ATOM 22 C LIG 1 7.585 1.279 -0.761 0.00 0.00 +0.003 C ATOM 23 C LIG 1 7.360 2.399 0.297 0.00 0.00 +0.005 C ATOM 24 C LIG 1 8.718 2.002 0.905 0.00 0.00 +0.001 C ATOM 25 C LIG 1 8.498 0.603 0.301 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -5.173 0.548 -0.321 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -5.843 1.349 0.635 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -6.856 2.234 0.225 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -7.192 2.361 -1.125 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.520 1.595 -2.076 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.525 0.697 -1.677 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -5.540 1.286 2.064 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -4.378 1.694 2.671 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -3.224 2.313 2.076 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -4.531 1.436 4.000 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -5.717 0.921 4.213 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -6.358 0.840 3.000 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -8.220 3.275 -1.530 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.044 4.020 -1.865 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -3.759 -3.579 2.168 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -4.677 -4.694 1.718 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -3.211 -4.959 1.883 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 9