indinavir (an HIV-protease inhibitor)

HF/6-31G

N -4.276976 -1.326693 -1.832538
C -4.409654 -0.304068 -0.806987
C -3.567960 0.923409 -1.183330
C -3.697786 1.938329 -0.051917
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C -4.734656 4.156023 0.566349
C -3.454740 4.814966 1.102265
C -5.599504 3.627331 1.720452
C -5.535056 5.171080 -0.261514
N -2.182384 0.519197 -1.394755
C -2.049691 -0.544319 -2.390175
C -2.895010 -1.749957 -2.016822
C -1.191341 1.582671 -1.523980
C 0.174027 1.195728 -0.958281
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C 0.112410 0.777188 0.504423
C 1.494053 0.572445 1.144420
C 1.346274 0.084036 2.606292
C 2.670764 -0.071406 3.323493
C 3.339574 1.040708 3.833399
C 4.572188 0.909009 4.457028
C 5.158199 -0.344496 4.585214
C 4.498910 -1.460667 4.087873
C 3.266022 -1.323581 3.462032
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C 6.915434 -1.196536 -0.914291
C 6.383635 -0.497562 -2.144397
C 7.070741 -0.074309 -3.269535
C 6.369643 0.547728 -4.295831
C 4.996663 0.738675 -4.196571
C 4.310428 0.311120 -3.066331
C 5.013442 -0.301905 -2.044569
C -5.299449 -2.369162 -1.847748
C -5.326961 -3.307508 -0.653379
C -6.177449 -3.072906 0.421581
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C -4.564576 -5.250886 0.539324
C -4.512194 -4.433868 -0.579166
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H -2.871208 4.109338 1.674135
H -2.848000 5.185042 0.283512
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H -5.059058 2.894475 2.300522
H -6.503773 3.168872 1.335942
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H -4.944121 5.551663 -1.088256
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H -1.062250 1.887778 -2.564159
H -0.465241 -0.132876 0.576800
H -0.420812 1.535003 1.064682
H 2.012116 1.523410 1.146560
H 0.816947 -0.860059 2.598948
H 0.722928 0.797193 3.134376
H 2.891412 2.013442 3.746479
H 5.069899 1.776804 4.845472
H 6.108089 -0.449336 5.073081
H 4.937922 -2.434686 4.192179
H 2.764969 -2.189555 3.073164
H 5.690009 -1.930110 0.751843
H 5.663791 0.065165 1.770090
H 7.124839 -2.241925 -1.124489
H 7.815127 -0.745768 -0.519777
H 8.132265 -0.215704 -3.349561
H 6.892168 0.885701 -5.170234
H 4.465797 1.218424 -4.996527
H 3.248046 0.450025 -2.991802
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H -5.158958 -2.945605 -2.754719
H -6.842561 -2.232060 0.419662
H -5.519184 -5.523527 2.443796
H -3.944189 -6.121238 0.616703
H -3.848780 -4.674184 -1.388398
H -4.700879 3.155451 -1.297651
H 1.786489 2.251977 -1.606252
H 3.842006 0.889794 0.183616
H 0.609931 0.395149 -1.545505
H 4.002619 -1.815180 -0.906041