REMARK Name = BDB036381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.152 -1.916 0.324 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -0.864 -2.804 -0.706 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -1.767 -3.285 -1.803 0.00 0.00 +0.036 C ATOM 4 C LIG 1 -0.986 -4.497 -2.328 0.00 0.00 +0.009 C ATOM 5 C LIG 1 0.499 -4.194 -2.089 0.00 0.00 +0.036 C ATOM 6 C LIG 1 0.426 -3.321 -0.875 0.00 0.00 -0.044 A ATOM 7 C LIG 1 1.467 -2.963 -0.032 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.209 -2.082 1.027 0.00 0.00 -0.039 A ATOM 9 C LIG 1 -0.104 -1.583 1.199 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.513 -1.280 0.498 0.00 0.00 +0.120 C BRANCH 10 20 ATOM 11 C LIG 1 -4.887 0.958 -1.521 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -4.494 2.338 -1.352 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -3.721 2.687 -0.291 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -2.554 2.036 0.104 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -1.824 2.443 1.183 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 -2.249 3.538 1.850 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -3.370 4.263 1.496 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -2.023 0.831 -0.651 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -1.624 1.164 -2.097 0.00 0.00 +0.031 C ATOM 20 N LIG 1 -2.891 -0.375 -0.611 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 -4.112 3.830 0.403 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -4.335 -0.072 -0.504 0.00 0.00 +0.130 C BRANCH 11 24 ATOM 23 C LIG 1 -7.098 -0.294 -1.970 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -6.431 0.993 -1.510 0.00 0.00 +0.042 C ENDBRANCH 11 24 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 8 25 ATOM 25 C LIG 1 2.317 -1.590 1.963 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 3.255 -0.603 1.236 0.00 0.00 -0.034 A ATOM 27 C LIG 1 4.551 -0.875 0.731 0.00 0.00 -0.017 A ATOM 28 C LIG 1 5.238 -2.204 0.840 0.00 0.00 +0.046 C ATOM 29 C LIG 1 5.228 0.188 0.078 0.00 0.00 +0.116 A ATOM 30 N LIG 1 6.483 0.189 -0.483 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 6.709 1.385 -0.999 0.00 0.00 -0.065 NA ATOM 32 N LIG 1 5.612 2.131 -0.781 0.00 0.00 -0.247 N ATOM 33 C LIG 1 5.584 3.478 -1.286 0.00 0.00 +0.175 C ATOM 34 C LIG 1 4.646 1.443 -0.087 0.00 0.00 +0.092 A ATOM 35 C LIG 1 3.367 1.754 0.390 0.00 0.00 -0.017 A ATOM 36 C LIG 1 2.707 0.692 1.035 0.00 0.00 +0.010 A BRANCH 35 37 ATOM 37 C LIG 1 2.756 3.105 0.168 0.00 0.00 +0.021 C ATOM 38 C LIG 1 1.870 3.731 1.224 0.00 0.00 +0.009 C ATOM 39 C LIG 1 3.232 4.296 0.969 0.00 0.00 +0.009 C ENDBRANCH 35 37 ENDBRANCH 25 26 BRANCH 25 40 ATOM 40 C LIG 1 2.947 -2.737 2.767 0.00 0.00 +0.133 C BRANCH 40 41 ATOM 41 C LIG 1 1.971 -3.322 3.754 0.00 0.00 +0.306 C ATOM 42 O LIG 1 1.056 -2.751 4.323 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 2.246 -4.612 4.034 0.00 0.00 -0.481 OA ATOM 44 H LIG 1 1.557 -4.865 4.683 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 25 40 ENDBRANCH 8 25 TORSDOF 9