REMARK Name = BDB059938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.373 1.127 -2.565 0.00 0.00 +0.122 A ATOM 2 C LIG 1 1.688 1.861 -3.537 0.00 0.00 +0.046 A ATOM 3 C LIG 1 0.582 1.321 -4.199 0.00 0.00 +0.007 A ATOM 4 C LIG 1 0.135 0.033 -3.886 0.00 0.00 -0.044 A ATOM 5 C LIG 1 0.804 -0.688 -2.890 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.915 -0.144 -2.233 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 3.434 1.779 -2.008 0.00 0.00 -0.477 OA BRANCH 7 8 ATOM 8 C LIG 1 4.537 1.070 -1.428 0.00 0.00 +0.180 C ATOM 9 C LIG 1 5.149 0.082 -2.440 0.00 0.00 +0.065 C ATOM 10 C LIG 1 5.581 2.178 -1.172 0.00 0.00 +0.065 C BRANCH 8 13 ATOM 11 N LIG 1 5.287 -0.355 0.476 0.00 0.00 -0.312 N ATOM 12 H LIG 1 6.192 -0.347 0.025 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 4.256 0.413 -0.040 0.00 0.00 +0.256 C ATOM 14 O LIG 1 3.208 0.579 0.583 0.00 0.00 -0.271 OA BRANCH 11 15 ATOM 15 C LIG 1 5.198 -0.967 1.787 0.00 0.00 +0.104 C BRANCH 15 16 ATOM 16 C LIG 1 5.496 0.013 2.922 0.00 0.00 +0.018 C BRANCH 16 18 ATOM 17 C LIG 1 7.237 1.413 4.091 0.00 0.00 +0.004 C ATOM 18 C LIG 1 6.932 0.541 2.882 0.00 0.00 -0.002 C ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 19 ATOM 19 C LIG 1 -1.067 -0.558 -4.584 0.00 0.00 +0.076 C BRANCH 19 20 ATOM 20 C LIG 1 -2.369 -0.350 -3.807 0.00 0.00 +0.233 C BRANCH 20 21 ATOM 21 O LIG 1 -2.402 -1.251 -2.696 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 -3.467 -1.147 -1.845 0.00 0.00 +0.121 A ATOM 23 C LIG 1 -3.354 -1.896 -0.672 0.00 0.00 +0.048 A ATOM 24 C LIG 1 -4.378 -1.885 0.280 0.00 0.00 +0.033 A ATOM 25 C LIG 1 -5.531 -1.120 0.072 0.00 0.00 +0.086 A ATOM 26 C LIG 1 -5.646 -0.386 -1.112 0.00 0.00 +0.033 A ATOM 27 C LIG 1 -4.620 -0.394 -2.065 0.00 0.00 +0.048 A BRANCH 25 28 ATOM 28 N LIG 1 -6.590 -1.118 0.995 0.00 0.00 -0.149 NA ATOM 29 N LIG 1 -6.245 -0.546 2.054 0.00 0.00 -0.149 NA BRANCH 29 30 ATOM 30 C LIG 1 -7.313 -0.530 2.968 0.00 0.00 +0.086 A ATOM 31 C LIG 1 -7.924 0.686 3.293 0.00 0.00 +0.029 A ATOM 32 C LIG 1 -8.975 0.731 4.213 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -9.415 -0.442 4.824 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.803 -1.658 4.522 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -7.753 -1.700 3.600 0.00 0.00 +0.029 A ENDBRANCH 29 30 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 12