REMARK Name = BDB036345 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.345 0.330 -1.556 0.00 0.00 -0.039 A ATOM 2 C LIG 1 -0.010 0.672 -1.238 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.088 0.106 -1.912 0.00 0.00 -0.030 A ATOM 4 C LIG 1 0.817 -0.795 -2.938 0.00 0.00 -0.040 A ATOM 5 C LIG 1 1.786 -1.579 -3.772 0.00 0.00 +0.036 C ATOM 6 C LIG 1 0.884 -2.056 -4.921 0.00 0.00 +0.009 C ATOM 7 C LIG 1 -0.530 -2.184 -4.342 0.00 0.00 +0.036 C ATOM 8 C LIG 1 -0.499 -1.147 -3.263 0.00 0.00 -0.044 A ATOM 9 C LIG 1 -1.577 -0.607 -2.580 0.00 0.00 +0.008 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.545 0.907 -0.797 0.00 0.00 +0.060 C BRANCH 10 11 ATOM 11 C LIG 1 -3.008 -0.035 0.327 0.00 0.00 -0.034 A ATOM 12 C LIG 1 -4.287 -0.650 0.308 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -5.266 -0.439 -0.812 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -4.624 -1.481 1.400 0.00 0.00 +0.116 A ATOM 15 N LIG 1 -5.785 -2.176 1.636 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -5.662 -2.813 2.790 0.00 0.00 -0.065 NA ATOM 17 N LIG 1 -4.441 -2.531 3.277 0.00 0.00 -0.247 N ATOM 18 C LIG 1 -4.052 -3.079 4.549 0.00 0.00 +0.175 C ATOM 19 C LIG 1 -3.730 -1.700 2.445 0.00 0.00 +0.092 A ATOM 20 C LIG 1 -2.449 -1.136 2.489 0.00 0.00 -0.023 A ATOM 21 C LIG 1 -1.455 -1.356 3.589 0.00 0.00 +0.046 C ATOM 22 C LIG 1 -2.130 -0.293 1.406 0.00 0.00 +0.010 A ENDBRANCH 10 11 BRANCH 10 23 ATOM 23 C LIG 1 -2.316 2.344 -0.291 0.00 0.00 +0.133 C BRANCH 23 24 ATOM 24 C LIG 1 -3.585 2.986 0.208 0.00 0.00 +0.308 C ATOM 25 O LIG 1 -3.753 3.358 1.362 0.00 0.00 -0.251 OA BRANCH 24 26 ATOM 26 O LIG 1 -4.480 3.137 -0.807 0.00 0.00 -0.465 OA BRANCH 26 28 ATOM 27 C LIG 1 -5.620 5.252 -0.481 0.00 0.00 +0.048 C ATOM 28 C LIG 1 -5.733 3.740 -0.452 0.00 0.00 +0.229 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 10 23 ENDBRANCH 1 10 BRANCH 3 29 ATOM 29 C LIG 1 2.501 0.464 -1.510 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 N LIG 1 3.236 -0.652 -0.902 0.00 0.00 -0.286 NA ATOM 31 C LIG 1 2.746 -0.986 0.467 0.00 0.00 +0.106 C ATOM 32 C LIG 1 2.021 -2.339 0.358 0.00 0.00 +0.031 C ATOM 33 C LIG 1 3.770 -1.000 1.615 0.00 0.00 +0.100 A ATOM 34 C LIG 1 4.655 0.066 1.782 0.00 0.00 +0.144 A ATOM 35 C LIG 1 5.492 0.107 2.892 0.00 0.00 +0.049 A ATOM 36 C LIG 1 5.458 -0.942 3.800 0.00 0.00 +0.023 A ATOM 37 C LIG 1 4.574 -1.981 3.566 0.00 0.00 +0.111 A ATOM 38 O LIG 1 4.705 1.105 0.900 0.00 0.00 -0.486 OA ATOM 39 C LIG 1 5.374 0.703 -0.312 0.00 0.00 +0.187 C ATOM 40 N LIG 1 3.733 -2.028 2.513 0.00 0.00 -0.255 NA ATOM 41 C LIG 1 4.689 -0.502 -1.021 0.00 0.00 +0.130 C BRANCH 39 42 ATOM 42 C LIG 1 5.452 1.950 -1.210 0.00 0.00 +0.042 C ATOM 43 C LIG 1 6.363 3.021 -0.618 0.00 0.00 +0.007 C ENDBRANCH 39 42 ENDBRANCH 29 30 ENDBRANCH 3 29 TORSDOF 9