REMARK Name = BDB013483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.115 -0.028 -0.236 0.00 0.00 +0.060 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.540 -1.371 0.390 0.00 0.00 -0.034 A ATOM 3 C LIG 1 2.269 -2.394 -0.281 0.00 0.00 -0.017 A ATOM 4 C LIG 1 2.734 -2.296 -1.704 0.00 0.00 +0.046 C ATOM 5 C LIG 1 2.587 -3.558 0.463 0.00 0.00 +0.116 A ATOM 6 N LIG 1 3.304 -4.671 0.092 0.00 0.00 -0.129 NA ATOM 7 N LIG 1 3.338 -5.509 1.117 0.00 0.00 -0.065 NA ATOM 8 N LIG 1 2.642 -4.941 2.122 0.00 0.00 -0.247 N ATOM 9 C LIG 1 2.494 -5.644 3.371 0.00 0.00 +0.175 C ATOM 10 C LIG 1 2.164 -3.707 1.776 0.00 0.00 +0.089 A ATOM 11 C LIG 1 1.429 -2.739 2.450 0.00 0.00 +0.030 A ATOM 12 C LIG 1 1.139 -1.577 1.733 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 17 ATOM 13 C LIG 1 -3.654 -0.652 -3.613 0.00 0.00 +0.044 C ATOM 14 C LIG 1 -2.454 -0.485 -2.724 0.00 0.00 -0.046 A ATOM 15 C LIG 1 -2.536 -0.575 -1.322 0.00 0.00 -0.028 A ATOM 16 C LIG 1 -1.360 -0.432 -0.558 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -0.108 -0.172 -1.146 0.00 0.00 -0.039 A ATOM 18 C LIG 1 -0.056 -0.047 -2.541 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -1.210 -0.207 -3.315 0.00 0.00 +0.004 A BRANCH 15 20 ATOM 20 C LIG 1 -3.837 -0.818 -0.571 0.00 0.00 +0.144 C BRANCH 20 21 ATOM 21 N LIG 1 -4.155 0.281 0.391 0.00 0.00 -0.171 NA ATOM 22 S LIG 1 -5.223 -0.153 1.638 0.00 0.00 +0.063 S ATOM 23 O LIG 1 -5.261 0.876 2.654 0.00 0.00 -0.153 OA ATOM 24 O LIG 1 -4.903 -1.514 2.023 0.00 0.00 -0.153 OA ATOM 25 C LIG 1 -6.774 -0.162 0.791 0.00 0.00 +0.126 A ATOM 26 C LIG 1 -7.305 0.998 0.208 0.00 0.00 +0.056 A ATOM 27 C LIG 1 -8.534 0.837 -0.475 0.00 0.00 +0.025 A ATOM 28 C LIG 1 -9.210 -0.383 -0.543 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -8.673 -1.500 0.069 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -6.763 2.289 0.211 0.00 0.00 -0.330 N ATOM 31 C LIG 1 -7.592 3.223 0.996 0.00 0.00 +0.129 C ATOM 32 C LIG 1 -5.320 2.573 0.367 0.00 0.00 +0.122 C ATOM 33 C LIG 1 -7.455 -1.394 0.731 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -4.379 1.582 -0.315 0.00 0.00 +0.128 C ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 1 35 ATOM 35 C LIG 1 2.266 0.808 -0.823 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 3.344 1.054 0.203 0.00 0.00 +0.308 C ATOM 37 O LIG 1 3.140 1.341 1.376 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 4.565 0.943 -0.377 0.00 0.00 -0.463 OA BRANCH 38 39 ATOM 39 C LIG 1 5.676 1.180 0.503 0.00 0.00 +0.251 C BRANCH 39 40 ATOM 40 C LIG 1 6.948 1.402 -0.341 0.00 0.00 +0.094 C ATOM 41 N LIG 1 6.887 2.688 -1.079 0.00 0.00 -0.299 NA ATOM 42 C LIG 1 7.660 2.627 -2.320 0.00 0.00 +0.105 C ATOM 43 C LIG 1 7.438 3.690 -0.157 0.00 0.00 +0.084 C ATOM 44 C LIG 1 8.525 2.983 0.632 0.00 0.00 +0.017 C ATOM 45 C LIG 1 8.192 1.501 0.543 0.00 0.00 +0.023 C ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 9